Design, synthesis and biological evaluation of 1,3,4-oxadiazole derivatives

3D QSAR analysis for the 21 molecules of 1,3,4-oxadiazoles was carried out by using k-Nearest Neighbor Molecular Field Analysis (kNN-MFA) combined with various selection procedures. 30 3D QSAR models were generated; one of these models was selected on the basis of q2 and pred_r2 values. The selected Model has training set of 17 molecules and test set of 4 molecules with validation (q2) and cross validation (pred_r2) values of 0.6969 and 0.6148 respectively.Title compounds of 1,3,4-oxadiazole derivatives were synthesized by the ring closure reactions of various acylhydrazides with carbon disulphide (4a–e) and with aromatic acids in POCl3 (5a–e). After structural elucidation, all the synthesized compounds were evaluated for their antimicrobial activity against Escherichia coli, Staphylococcus aureus and Staphylococcus epidermidis.

Graphical abstractThe various 1,3,4-oxadiazole derivatives were synthesized by the ring closure reactions of various aroylhydrazides and were further screened for their antibacterial activity against E. coli (MTCC 443), S. epidermidis (ATCC12228) and S. aureus (ATCC25923) bacterial strains by disc diffusion method.Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide