Synthesis of Some New Disubstituted Triazole and Oxadiazole Derivatives and Study of Their Molecular Docking and Biological Activity

In this study, a new triazole and oxadiazole derivatives were synthesized from reaction of compound (1) with NH4CSN at (180-200) °C were prepared compound (2) in the first step and in the second step, compound (1) was reacted with Cs2 in the KOH presence to produced of the 5-mercapto 1,3,4-oxadiazole derivative. Likewise, in third step, compound (1) was reacted with various substituted benzoic acids in the POCl3 presence to produce amide derivatives 4(a-e). In final step, synthetic amides were cyclized in the presence of H2SO4 con. to generate 1,3,4-oxadiazole derivatives 5(a-e). The prepared compounds were characterized using FT-IR, 1H-NMR spectroscopy, and studied biological activity of the prepared compounds against Escherichia coli and Staphylococcus aureus as well as antifungal activity. In addition, the molecular docking properties of these compounds were also investigated.