Synthesis, Fungicidal Activities And DFT Research Of 1, 3, 4-oxiadiazoles

1,3,4-oxadiazole derivatives have received increasing interests in the agrochemical and pharmaceutical fields because of their unique and diverse potential biological properties .To get further information about their fungicidal activity, 24 new compounds have been synthesized from 2-amnio-5-aryl-l,3,4-oxadiaz"oles.I,Acylthioureas derived from condensation of additional compounds of 2-amnio-5 -aryl-1,3,4-oxadiazoles with acetyl isothiocy-anides and soccharin sodium.II, Sulfonate esters derivied from condensation of additional compounds of 2-amnio-5 -aryl-l,3,4-oxadiazoles with acetyl isothiocy-anides and sodium 4-methyl benzene sulfonate.All the compounds have been characterized by IR,1HNMR, MS and elemental analysis .The properties of physical chemical and spectroscopy of these compounds are systematically investigated.The reaction methods and reaction conditions have been compared and investigated, analysized.Then, we have tested the fungicidal activity of 14compounds All of them exhibited fungicidal activity.Finally, the molecular geometries for various conformations of the title compounds have been predicted and optimized using the density functional theory (DFT) at the B3LYP/6-31G levels.The quantitative relationship between the structures and fungicidal activities was studied.