Ring Nitrogen Research Articles

High‐Energy Nitrogen Rings Stabilized by Superatomic Properties

AbstractHow to stabilize nitrogen‐rich high‐energy‐density molecules under conventional conditions is particularly important for the energy storage and conversion of such systems and has attracted extensive attention. In this work, the theoretical study shows for the first time that the stabilization mechanism of the nitrogen ring conforms to the superatomic properties at the atomic level. This result occurs because the stabilized anionic nitrogen rings generally exhibit planar high symmetry and the injected electrons occupy the superatomic molecular orbitals (SAMOs) of the nitrogen rings. According to these results, the typical stabilized anionic nitrogen ring structures N64−, N5−, and N42− are identified, which possess delocalized molecular orbitals with the same symmetry as the atomic orbitals and electron arrangement consistent with the electron shell arrangement of the atom. On this basis, a pathway is further designed to stabilize nitrogen rings by introducing metal atoms as electron donors to form neutral ThN6, LiN5, and MgN4 structures, thereby replacing the anionization of systems. This study highlights the importance of developing nitrogen‐rich energetic materials from the perspective of superatoms.

Exploring Anticancer Potential: Synthesis and Assessment of the Biological Activity of Novel Synthesized Pyrazinoic Acid Derivatives

AbstractOne of the most effective approaches to discovering novel drugs for cancer treatment involves the exploration of new synthetic compounds. The pyrazinoic acid or pyrazine‐2‐carboxylic acid (PA)‐derivative compounds can be explored as a new anticancer agent due to their nitrogenous heteroaromatic ring. In this study, ten novels PA derivatives were synthesized by Ugi multicomponent reaction and characterized using IR, NMR, and mass spectroscopy. The cytotoxic activity was assayed in three different cancer cell lines, including colon (HT‐29), lung (A549), and breast (MCF‐7). The U10 was the most potent compound, exhibiting moderate cytotoxicity with IC50 of 8.26 μM, 8.23 μM, and 22.58 μM against HT‐29, A549, and MCF‐7 cell lines, respectively. In addition, the effect of U10 exposure in the MRC‐5 cell line as a non‐tumoral lung cell line showed a selectivity index of 3.76. The apoptotic activity and intracellular ROS level induction of U10 were assayed in MCF‐7 cells. The results demonstrated that apoptosis increases from 23.94 % at 10 μM to 36.8 % at 25 μM. Intracellular ROS level assay showed that U10 was able to significantly increase intracellular ROS by increasing the concentration. Molecular docking was utilized to predict the binding sites and interactions between the synthesized compound and DNA, as well as the Bcl‐2 apoptosis regulator.

Crystal structure of brimonidine hydrogen tartrate, (C11H11BrN5)(HC4H4O6)

Crystal structure of brimonidine hydrogen tartrate, (C₁₁H₁₁BrN₅)(HC₄H₄O₆)

Anticancer, antimicrobial and photocatalytic activities of a new pyrazole containing thiosemicarbazone ligand and its Co(III) and Ni(II) complexes: Synthesis, spectroscopic characterization and X-ray crystallography

A new pyrazole based thiosemicarbazone ligand, 5-methyl-3-formylpyrazole-N(4)-isopropylthiosemicarbazone, (HMPzNHPri) (compound I), and its cobalt(III) and nickel(II) complexes, [Co(MPzNHPri)2]Cl (compound II) and [Ni(HMPzNHPri)2]Br2 (compound III), respectively, have been synthesized and characterized through various physico-chemical and spectroscopic studies. Both the reported Co(III) and Ni(II) complexes are cationic in nature and behave as 1:1 and 1:2 electrolytes in MeOH, respectively. Electronic spectral features of the complexes have classified them as distorted octahedral ones. IR spectral data (4000–450 cm−1) have suggested a monoprotic tridentate (NNS) function of compound I coordinating to the Co(III) ion via the pyrazolyl (tertiary) ring nitrogen, azomethine nitrogen and thiolato sulphur atom; while for compound III, compound I has been found to act as neutral NNS tridentate one, coordinating to Ni(II) via the pyrazolyl iminic nitrogen, azomethine nitrogen and thioketo sulphur. Structural features of all the compounds are confirmed by the single crystal X-ray data. All the compounds reported here have been found to exhibit significant photocatalytic activity towards degradation of Methylene Blue (MB) under UV radiation. Anticancer activity of all the three compounds against cancer cell lines (HeLa and A549) and a normal cell line (HEK293) have been investigated. Compound II has been found to be more efficient against the human cervical cancer cell (HeLa) and the lung cancer cell (A549) than compounds I and III. The ligand and both the complexes display potential activities against both gram-positive (Bacillus subtilis MTCC 7193) and gram-negative bacteria (E. coli MTCC 1610).

Air-Stable and Eco-Friendly Symmetrical Imine with Thiadiazole Moieties in Neutral and Protonated form for Perovskite Photovoltaics.

This paper proposes molecular and supramolecular concepts for potential application in perovskite solar cells. New air-stable symmetrical imine, with thiadiazole moieties PPL2: (5E,6E)-N2,N5-bis(4-(diphenylamino)benzylidene)-1,3,4-thiadiazole-2,5-diamine), as a hole-transporting material was synthesised in a single-step reaction, starting with commercially available and relatively inexpensive reagents, resulting in a reduction in the cost of the final product compared to Spiro-OMeTAD. Moreover, camphorsulfonic acid (CSA) in both enantiomeric forms was used to change the HOMO-LUMO levels and electric properties of the investigated imine-forming complexes. Electric, optical, thermal, and structural studies of the imine and its complexes with CSA were carried out to characterise the new material. Imine and imine/CSA complexes were also characterised in depth by the proton Nuclear Magnetic Resonance 1H NMR method. The position of nitrogen in the thidiazole ring influences the basicity of donor centres, which results in protonation in the imine bond. Simple devices of ITO/imine (with or without CSA(-) or CSA(+))/Ag/ITO architecture were constructed, and a thermographic camera was used to find the defects in the created devices. Electric behaviour was also studied to demonstrate conductivity properties under the forward current. Finally, the electrical properties of imine and its protonated form with CSA were compared with Spiro-OMeTAD. In general, the analysis of thermal images showed a very similar response of the samples to the applied potential in terms of the homogeneity of the formed organic layer. The TGA analysis showed that the investigated imine exhibits good thermal stability in air and argon atmospheres.

Dilithium pyridine-2, 5-dicarboxylate as potential anode material for Li-ion battery

Amongst various small molecules with different functional groups, conjugated carbonyls are the most promising materials for lithium storage at low potential. This work reports lithium storage in dilithium pyridine-2, 5-dicarboxylate small molecule. We show here that dilithium pyridine-2, 5-dicarboxylate reversibly stores 2 mol of Li-ion per molecule, giving a reversible capacity of 307 mAh/g at an average voltage of 1.0 V. The capacity retention after 500 cycles at 1C rate is 69 %. This material shows impressive rate performance with a capacity retention of 140 mAh/g at 5C rate. The inclusion of electronegative nitrogen in the benzene ring helps in improving the storage performance compared to lithium terephthalate. Further ex-situ studies demonstrate possible mechanism for reversible lithium storage. Our findings showcase that the deliberately engineered organic electrode material facilitates the development of high capacity lithium-ion battery.

Combined computational and synthetic strategies for the development of potent pyrazolo-pyridine derivatives as anticancer agents

PI3K comprise a group of lipid kinases mainly made up of three classes and have a particular role in signal transduction. The aberration of class IA PI3K is most frequently shown in cancer. The computation techniques have been applied for the identification of potent compounds. This involved the generation of a library of novel compounds (2700) through R-group enumeration study. The screening process utilized a combination of pharmacophore-based virtual screening and various docking algorithms, leading to the discovery of ten novel compounds. The docking studies against PI3K kinase highlighted MSA6 and MSA7 as the most promising compounds, with docking scores of -9.03 and -9.0 kcal/mol, respectively. Results of docking studies of all derivatives confirmed satisfactory binding mode of the compounds within the active site of the target protein PI3K kinase. The screened pyrazolo-pyridine derivatives (MSA1-MSA10) were synthesized and evaluated as anti-cancer agents against NSCLC using A549 cell line. MSA6 showed the dose dependent enhancement in ROS production at concentration of 10 and 20 µM in A549 cells. MSA6 triggered caspase 3 cleavage in lung cancer cells in a dose-dependent manner. MSA6 treatment at 10 and 20 µM levels boosted NF-κβ expression in the cytoplasm while decreasing it in the nucleus, as demonstrated by flow cytometry with an anti-NF-κβ antibody. The modulation of PI3K activity have been observed at 10 µM and 20 µM concentration of MSA6. A549 cells treated with MSA6 with 20 µM showed significant reduction in wound healing in cancerous cell. A549 cells treated with 20 µM showed significantly reduction in number of colonies compared to control group. Compound MSA6 having a methyl group at the para position of phenyl ring at imine carbon and phenyl ring substitution at nitrogen of pyrazole ring exhibited remarkable growth inhibitory activity with IC50 value of 49.23 μM. Based on the above results, pyrazolo-pyridine derivatives can be used for the further development of novel PI3K kinase inhibitors as anticancer agents.

Insight into the Novel Synthesis Approaches and Biological Activity of 1,3,4 Oxadiazole: A Review

Abstract: Oxadiazole is an organic compound featuring a heterocyclic ring housing carbon, oxygen, and nitrogen atoms. Due to their heightened stability in biological environments, oxadiazole rings exhibit significant biological activities, effectively addressing health challenges like infectious diseases and chronic conditions in medicinal chemistry. The main objective of this review is to discuss various synthetic approaches related to 1,3,4-oxadiazole and its derivatives. The diverse reactivity positions oxadiazole as a valuable building block in organic synthesis, with derivatives exhibiting promising pharmacological activities. It involves a systematic literature review, critical analysis, and synthesis of existing research. This review comprises the ever-expanding chemical knowledge and has significant implications for drug development. Synthetic approaches to synthesizing oxadiazole through different schemes and methods have been discussed thoroughly. This review also concisely associated the pharmacological activities of oxadiazole and its derivatives. This review highlights the importance of continued research into the structure-activity relationships of oxadiazole derivatives, paving the way for developing novel and more potent therapeutic agents.

Synthesis, Crystal Structure, and Analysis of Hirshfeld Surface of Hexa (4‐Aminopyridine) Triscopper(II) Carbonate Trihydrate

AbstractSynthesized crystal of Hexa (4‐aminopyridine) triscopper(II) carbonate trihydrate with the chemical formula C33 H42 Cu3 N12 O12. Molecular structure of synthesized compound determined by single crystal X‐ray diffraction (SCXRD) of Hexa (4‐aminopyridine) triscopper(II) carbonate trihydrate. The 4‐aminopyridine molecular is bonded with copper atoms via the aromatic ring's nitrogen atoms (Cu‐N). The analysis of the Hirshfeld surface is essential to the crystal packing process because of the intermolecular interactions. Intermolecular interactions of hydrogen bonds are revealed through Hirshfeld surface analysis viewed by 3D and 2D fingerprint plots. A novel organic‐inorganic hybrid crystal is Hexa (4‐aminopyridine) triscopper(II) carbonate trihydrate determined, and their study of this crystal reveals various intermolecular interactions responsible for crystal stability.

Vibrational Analysis and Concentration Dependent SERS Study of Cefoperazone

Cefoperazone is a broad-spectrum antibiotic that is extremely efficient in the treatment of respiratory, abdominal, or genital infections. Vibrational spectroscopic techniques, FT-IR, Raman, and SERS, along with DFT calculations, were involved in investigating the normal modes of vibration and adsorption behavior of this antibiotic. Using both the experimental and theoretical data, the bands in the Raman and IR spectra were assigned to the normal vibrational modes. The SERS spectra were successively obtained by using silver and gold colloidal nanoparticles as a substrate. Their analysis revealed that the molecule is chemisorbed on the nanostructured surface through the as-denoted nitrogen ring. Changes observed in the SERS spectra recorded at different cefoperazone concentrations, i.e., modifications in the relative intensity of specific bands suggest the reorientation of adsorbed molecules towards the metal surface.

Theoretical, DNA/BSA Binding, Molecular Docking and In Vitro Cytotoxicity Studies of Homoleptic Metal(II) Complexes Derived from 2‐Formylpyridine‐Based Ligands

AbstractA new class of homoleptic metal(II) complexes of general formula [M(L1–4)2]2Cl in which L1=1‐([1,1′‐biphenyl]‐4‐yl)‐N‐(2‐((‐pyridin‐2‐ylmethylene)amino)ethyl)methanimine, L2=1‐([1,1′‐biphenyl]‐4‐yl)‐N‐(2‐((‐pyridin‐2‐ylmethylene)amino)phenyl)methanimine, L3=1‐([1,1′‐biphenyl]‐4‐yl)‐N‐(2‐((‐pyridin‐2‐ylmethylene)amino)‐4‐nitrophenyl)methanimine and L4=4‐(([1,1′‐biphenyl]‐4‐ylmethylene)amino)‐3‐((−pyridin‐2‐ylmethylene)amino)benzophenone, and M=Ni(II) (1–4), Cu(II) (5–8) and Zn(II) (9–12) have been synthesized and characterized. The IR spectra reveal the involvement of azomethine and 2‐formylpyridine ring nitrogen atoms in chelation. The UV‐Vis and EPR spectral studies envisage distorted octahedral geometry around metal(II) ion. All the complexes were stable for 72 h in biologically relevant solutions, and copper(II) complexes were reduced to Cu+ center in the presence of ascorbic acid solution. The binding studies of complexes with calf thymus DNA (CT‐DNA) indicate groove mode of binding, and the complexes 3, 7 and 11 containing the 4‐nitrophenyl substituent exhibit the highest binding affinity than the other complexes. Furthermore, the spectral studies also revealed the interaction of complexes with BSA through static mechanism. In vitro cytotoxicity activity of the complexes was screened against human lung adenocarcinoma (A549) and breast adenocarcinoma (MCF‐7) cancerous, and normal murine fibrosarcoma (L929) cell lines. The molecular docking studies of the homoleptic metal(II) complexes show hydrophobic, π–π, σ–π and hydrogen bonding interactions with EGFR/VEGFR2 kinase receptors.

The influence of acceptor acidity on hydrogen bond mediated aglycone delivery (HAD) through the picoloyl protecting group

AbstractThe outcome of glycosylation reactions heavily relies on the specific protecting group patterns employed on both the donor and acceptor molecules. The picoloyl (Pico) protecting group stands out as it can steer the stereoselectivity in a glycosylation reaction through hydrogen bond‐mediated aglycone delivery (HAD). This provides syn‐stereoselectivity, with respect to the stereochemistry of the Pico group, by forming a hydrogen bond between the incoming acceptor and the picoloyl ring nitrogen. We here probe how acceptor acidity influences the stereodirecting effect of the picoloyl protecting group. A set of 3‐O‐functionalized glucosyl and mannosyl donors, each bearing different protecting groups (picolinate, nicotinate, isonicotinate, and benzoate), were synthesized for systematic evaluation. For the 3‐O‐picoloyl‐glucose series, the picoloyl group exhibited minimal influence on stereoselectivity, with only weak nucleophiles showing a modest shift in selectivity for the 3‐O‐Pico protected glucosyl donor in comparison to the other C‐3‐acyl glucosides. In contrast, in the 3‐O‐picoloyl‐mannose series a much stronger β‐directing effect was observed, wherein more acidic acceptors led to increased β‐selectivity. The results provide insights into the complex interplay of acceptor acidity and glycosylation stereoselectivity mediated by the picoloyl protecting group.

Synthesis and Photochemical Characterization of Indolizine Fluorophores Obtained by a Multicomponent Palladium Iodide−Catalyzed Oxidative Aminocarbonylation Approach

AbstractA catalytic carbonylative method for the direct, multicomponent synthesis of indolizine fluorophores has been developed. The process is based on the PdI2/KI‐catalyzed oxidative aminocarbonylation of 2‐(pyridin‐2‐yl)pent‐4‐yn‐1‐carbonyl compounds leading to the corresponding 2‐ynamide intermediates, followed in situ by 5‐exo‐dig cyclization (by amine‐promoted conjugate addition of the pyridine ring nitrogen) and aromatization, to give the finally isolated N,N‐disubstituted 2‐(indolizin‐3‐yl)acetamides. Reactions are carried out under relatively mild conditions (100 °C under 20 atm of a 4 : 1 mixture CO−air for 6–15 h) in MeCN as the solvent and with a low catalyst loading (0.33 mol% PdI2), in the presence of 0.5 equiv. of KI and 3 equiv. of a secondary amine. The optical properties of representative 2‐(indolizin‐3‐yl)acetamide products have also been investigated.

Donor–π–acceptor conjugated microporous polymers for photocatalytic organic conversion with photogenerated carrier separation ability by an embedded electric field along the molecular chain

Photogenerated electron-hole pairs in conjugated microporous polymers (CMPs) recombine easily, thus donor-acceptor (D-A) structure was reported to promote the separation of photogenerated carriers, while the inevitable relationship behind them has not been established. Herein, a series of D–π–A type CMPs (Dz-B-CMP, Pz-B-CMP, and Py-B-CMP) were designed and constructed from carbazole (donor) and six-membered nitrogenous ring (acceptor). The photocatalytic performance of the prepared CMPs was evaluated in the reaction between o-phenylenediamine and benzaldehyde. Satisfactorily, Py-B-CMP exhibited the excellent photocatalytic activity with benzimidazole yield of 95.5%, and a wide range of substrate adaptability and outstanding recycling stability. Further theoretical calculations demonstrated that the excellent activity of Py-B-CMP was attributed to the built-in electric field along the molecular chain. This endowed Py-B-CMP with a powerful driving force for the separation and migration of photogenerated carriers, resulting in a remarkable photocatalytic performance. Additionally, a possible photocatalytic synthesis mechanism of benzimidazole was proposed.

A systematic study on interplay between intermolecular hydrogen bonding and aromaticity

In this study, the interplay between aromaticity and intermolecular hydrogen bonding was investigated in some heterocyclic compounds using quantum mechanical calculations. The NH … O intermolecular hydrogen bonds between formamide and NH and CO functional groups of the selected compounds enhance the delocalisation of the six-membered ring electron cloud, resulting in an increase in the aromaticity of the ring. The contribution of various factors to the binding energy, including the stabilisation energy of the interplay between aromaticity and H-bonding, was estimated using two model systems. The relative binding energies and the estimated stabilisation energies of the aforementioned interplay can be explained by the weights of resonance structures calculated using the natural resonance theory (NRT) analysis with the natural bond orbitals (NBO) method. These weights reflect the tendency of ring nitrogen lone pairs to contribute to the π electron cloud of the ring. The results of the topological analysis of electron charge densities using the atoms in molecules (AIM) method were used to estimate the aromaticity of the ring. Aromaticity indices, particularly nucleus-independent chemical shifts (NICS) calculated one angstrom above the ring plane, are in good linear correlation with the estimated stabilisation energies and electron density at the H-bond critical points. The sum of the total nuclear spin–spin coupling 1J of adjacent atoms of the ring (Σ1J), and the J values of H-bond donor and H-bond acceptor atoms, 1HJNO, which are in good agreement with the energy data and aromaticity indices, can be used as measures of the interplay between aromaticity and H-bonding. The interplay between H-bonding and the aromaticity of the ring is clearly evident from the changes in the pattern of the molecular electrostatic potential (MEP) contour maps at 1.7 Å above the plane of the molecule upon H-bond complexation.

Synthesis and Biological Evaluation of Novel Thiadiazole Derivatives as Antiplatelet Agents.

A novel series of thiadiazole compounds was synthesized through the reaction of thiosemicarbazone intermediates with 2, 3-dichloro-5,6-dicyano-1,4-benzoquinone (DDQ). The antiplatelet activity of the synthesized compounds was evaluated using an aggregation test with adenosine diphosphate (ADP) and arachidonic acid (AA) as platelet aggregation inducers. Among the synthesized analogs, compound 3b exhibited the most potent inhibition of platelet aggregation induced by ADP (half maximal inhibitory concentration [IC50] = 39 ± 11 µM). Molecular docking studies of 3b revealed hydrogen bonds between the nitrogen of the thiadiazole ring and Lys280. The tolyl ring exhibited hydrophobic interactions with Tyr105, similar to the antagonist co-crystallized with P2Y12 (PDB ID: 4NTJ). These compounds have the potential to serve as lead molecules for designing P2Y12 inhibitors.

Opposite regulation effects of Al3+ on different types of carbon quantum dots and potential applications in information encryption.

Regulating the photoluminescence (PL) of carbon quantum dots (CQDs) through ion modification is a well-established and effective approach. Herein, we report the opposite regulation effects of Al3+ ions on the PL properties of two distinct types of CQDs (graphene quantum dots, GQDs, and nitrogen-doped carbon quantum dots of 2,3-diaminophenazine, DAP), and elucidate the underlying mechanism of the binding of Al3+ ions to different PL sites on CQDs by employing ultraviolet-visible spectroscopy, X-ray photoelectron spectroscopy, and density functional theory calculations. Specifically, Al3+ ions are primarily situated around the oxygen-containing groups, which do not impact the π-π regions of GQDs. However, Al3+ ions are preferentially adsorbed on the top of pyridine nitrogen in the phenazine rings of DAP, thus reducing the PL regions of DAP. Based on the opposite PL effects of Al3+ on GQDs and DAP, we explore potential applications of information encryption and successfully realize multi-level information encryption and decryption, which may provide new strategies for CQDs in information security.

An unusual phosphide addition reaction of 1,3-dimethyl-1,2,3-benzotriazolium iodide

The reactivity of the stable N-heterocyclic nitrenium salt 1,3-dimethyl-1,2,3-benzotriazolium iodide (1) toward various nucleophilic reagents has been investigated. Strongly nucleophilic reagents such as potassium hydride (KH), potassium cyclopentadienide (KCp), potassium tert-butoxide (KOtBu), sodium methoxide (NaOMe), and sodium ethanethiolate (NaSEt) all reacted with 1 under demethylation and back-formation of 1-methyl-1,2,3-benzotriazole (2) in high isolated yield (ca. 80–90%). In marked contrast, an unusual phosphide addition reaction took place when 1 was treated with 1 equiv. of potassium diphenylphosphide (as the 1,4-dioxane adduct KPPh2(dioxane)2). In the course of this reaction the P atom replaces the central nitrogen of the triazole ring while being formally oxidized to an iminophosphorane derivative (3). Both compounds 2 and 3 have been structurally characterized through single-crystal X-ray diffraction.

Carbenes trapping on Aluminum-Magnesium surface implanted with Silicon, Germanium, Tin: Promising of semiconductors by molecular modeling approach

Al-Mg surface doped silicon, germanium and tin is theoretically studied using first-principles density functional theory (DFT) at the CAM-B3LYP/EPR-III, LANL2DZ,6-31+G(d,p) level of theory to explore the chemical adsorption and corrosion inhibition of organic carbenes through coating process. The fluctuation of NQR is estimated the inhibiting role of pyridine and its derivatives (picoline, 3-picoline,4-picoline,2,4-lutidine) for (Si, Ge, Sn)-doped Al-Mg alloy nanosheet due to concerning nitrogen in the benzene ring of related heterocyclic compounds becoming close to the monolayer nanosurface of Al-Mg-X (X = Si, Ge, Sn) nanoalloys. The NMR spectroscopy remarks that (Si, Ge, Sn)-doped Al-Mg alloy nanosheet has maximum band wavelengths approximately between 10 ppm–2000 ppm accompanying the sharpest peaks for inhibitors → Al-Mg-X which are between 10 ppm–100 ppm. IR spectroscopy has exhibited that (Si, Ge, Sn)-doped Al-Mg alloy nanosheet with the fluctuation in the frequency of intra-atomic interaction leads us to the most influence in the vicinage atoms generated due to inter-atomic interaction. The maximum IR spectrum for complexes of [inhibitor → Al-Mg-X (X = Si, Ge, Sn)] is observed in the frequency range between 500 cm−1–3500 cm−1. This work exhibits that proper monitoring of the coating mechanism by Langmuir adsorption can illustrate inhibiting the aluminum nanoalloys corrosion through an investigation of their structural and thermodynamic properties. This work investigates the characteristics, band structure, and projected density of state (PDOS) of Al-Mg nanoalloy doped with Si, Ge, Sn elements for increasing the corrosion inhibition of the surface through adsorption of organic molecules of carbenes in the surface coatings process. This article can be helpful in a range of applications which uses Al-Mg alloy for the study of energy storage and adsorption of air pollution or water contamination. Many different approaches such as surface coatings, alloying and doping can be adopted to protect the surface.

New Pd(II) complexes containing hydrazinyl oxazolyl coumarin derivatives: synthesis, spectral characterization and anti-cancer studies

Abstract New palladium(II) complexes containing coumarin derivatives such as (E)-3(2-(2-(1-(2-oxo-2H-chromen-3-yl)ethylidene)hydrazinyl)oxazol-4-yl)-2H-chromen-2-one (HL 1 ), (E)-7-hydroxy-3(2-(2-(1-(2-oxo-2H-chromen-3-yl)ethylidene)hydrazinyl)oxazol-4-yl)-2H-chromen-2-one (HL 2 ) were successfully designed and synthesized from the reaction of K2[PdCl4] with ligands HL 1&2 with in Methanol medium. The ligands and complexes were characterized by various analytical and spectral techniques such as FT-IR, UV–Vis, 1H NMR and 13C NMR spectral techniques. From the spectral data we confirmed that the ligands neutrally coordinated with Pd(II) ion via their lactone oxygen, azomethine nitrogen and oxazolyl ring nitrogen atoms. The electrolytic nature of the complexes was confirmed by using conductivity experiments. Further anticancer activity of the compounds has examined with HeLa (human cervical cancer) cells along with the cisplatin as positive control and the obtained results revealed that the complexes possess significant anticancer activity and non-toxic towards HUVEC (human umbilical vein endothelial) cells.