Synthesis Molecular Properties Prediction and Anti-staphylococcal Activity of N-Acylhydrazones and New 134-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 were fully characterized by IR, ¹H-NMR, and ¹³C-NMR. Furthermore, evaluations of the antibacterial activity of the 1,3,4-oxadiazoles >5a–e and N-acylhydrazones >4a–e showed strong activity against several strains of Staphylococcus aureus, with MICs between 4 μg/mL to 32 μg/mL. In silico studies of the parameters of Lipinski’s Rule of Five, as well as the topological polar surface area (TPSA), absorption percentage (% ABS), drug likeness and drug score indicate that these compounds, especially >4a and >5d, have potential to be new drug candidates.