Molecule ID: 136412260

IUPAC Name: 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(E)-methoxyiminomethyl]-2-methylbenzamide

Description: The molecule is a benzamide obtained by formal condensation of the carboxy group of 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl]-2-methylbenzoic acid with the amino group of N-methoxymethanimidamide. It is a member of benzamides, an isoxazoline, a dichlorobenzene, a member of formamidines, an organofluorine compound and an ether.

SMILES: CONC=NC(=O)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C

SELFIES: [C][O][N][C][=N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][C][=N][O][C][Branch1][#C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C]

InChI: InChI=1S/C20H16Cl2F3N3O3/c1-11-5-12(3-4-16(11)18(29)26-10-27-30-2)17-9-19(31-28-17,20(23,24)25)13-6-14(21)8-15(22)7-13/h3-8,10H,9H2,1-2H3,(H,26,27,29)

Molecular Properties:
- Polar Surface Area: 72.3 Ų
- LogP: 5.5