Synthesis, molecular properties prediction, and anti-staphylococcal activity of N-acylhydrazones and new 1,3,4-oxadiazole derivatives.

摘要: Five new 1-(2-(5-nitrofuran-2-yl)-5-(aryl)-1,3,4-oxadiazol-3-(2H)-yl) ethanone compounds 5a–e were synthesized by cyclization of N-acylhydrazones 4a–e with acetic anhydride under reflux conditions. Their structures fully characterized IR, 1H-NMR, and 13C-NMR. Furthermore, evaluations the antibacterial activity 1,3,4-oxadiazoles showed strong against several strains Staphylococcus aureus, MICs between 4 μg/mL to 32 μg/mL. In silico studies parameters Lipinski’s Rule Five, as well topological polar surface area (TPSA), absorption percentage (% ABS), drug likeness score indicate that these compounds, especially 4a 5d, have potential be candidates.