3D QSAR analysis for the 21 molecules of 1,3,4-oxadiazoles was carried out by using k-Nearest Neighbor Molecular Field Analysis (kNN-MFA) combined with various selection procedures. 30 3D QSAR models were generated; one of these models was selected on the basis of q(2) and pred_r(2) values. The selected Model has training set of 17 molecules and test set of 4 molecules with validation (q(2)) an...

In the present paper, synthesis of new series of 1,3,4oxadiazole derivatives incorporating substituted dihydropyrimidinone and chloroquinoline moieties 4(a-j) has been reported. All the synthesized compounds were characterized by FTIR, 1 H NMR and Mass spectroscopy. The compounds were screened for their in vivo anti-inflammatory activity by the carrageenan induced rat paw edema method and in vi...

In the title compound, C(17)H(15)N(3)OS, the phenothia-zine ring system is slightly bent, with a dihedral angle of 13.68 (7)° between the benzene rings. The dihedral angle between the oxadiazole ring and the adjacent benzene ring is 7.72 (7)°. In the crystal, a π-π inter-action with a centroid-centroid distance of 3.752 (2) Å is observed between the benzene rings of neighbouring mol-ecules.

The title mol-ecule, C(18)H(19)N(3)O(3), lies on a mirror plane that bis-ects the adamantyl group. In the crystal, C-H⋯O and C-H⋯N inter-actions lead to supra-molecular chains along [100]. These assemble into layers in the ab plane via π-π inter-actions [centroid-centroid distance = 3.6548 (7) Å] between the oxadiazole and benzene rings.

GABRIELA LAURA ALMAJAN1*, STEFANIA-FELICIA BARBUCEANU1, ILEANA FARCASANU2, CONSTANTIN DRAGHICI3 1 University of Medicine and Pharmacy, Faculty of Pharmacy, Organic Chemistry Department, 6 Traian Vuia Street, 020956 Bucharest, Romania 2 University of Bucharest, Faculty of Chemistry, Organic Chemistry, Biochemistry and Catalysis Department, 90-92 Sos. Panduri, 050663, Bucharest, Romania 3 Romania...

We examine the photophysical properties of ladder-type pentaphenylenes, which have been prepared as prototypical "all-in-one" emissive materials bearing both electron-accepting (diaryloxadiazole) and electron-donating (triphenylamine) units. We find that donor-acceptor interactions are very dependent on the nature of the connectivity of these groups to the main pentaphenylene chain. When the ox...

The complete mol-ecule of the title compound, C(20)H(18)N(4)O(2)S(2), is generated by crystallographic inversion symmetry. The benzene ring is almost coplanar with the oxadiazole ring [dihedral angle = 7.2 (2)°].