Our synthesis method for 1,3,4-oxadiazole derivatives, involving the condensation of hydrazide derivatives with carboxylic acids in the presence of phosphoryltrichloride, holds significance across diverse scientific domains. Structural confirmation of the synthesized compounds employs infrared spectroscopy (IR), proton nuclear magnetic resonance spectroscopy (1H NMR), carbon nuclear magnetic resonance spectroscopy (13C NMR) and mass spectrometry (MS). In tandem with experimental techniques, our study includes ADMET studies (Absorption, Distribution, Metabolism, Excretion, and Toxicity), docking studies, and molecular dynamics simulations. These computational analyses offer valuable insights into the pharmacokinetic properties of the compounds, potential interactions with target molecules (e.g., enzymes or receptors), and their dynamic behavior. The integration of experimental synthesis and characterization with computational methodologies enhances our understanding of 1,3,4-oxadiazole and 1,3,4-bisoxadiazole derivatives. This combined approach contributes to the exploration of these compounds' potential applications in biological, pharmaceutical, and chemical contexts, facilitating the development of new compounds with desirable properties.