Molecule ID: 6451155

IUPAC Name: ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate

Description: The molecule is an isoxazoline that is the ethyl ester of isoxadifen. It is used as a herbicide safener, especially in conjunction with the herbicides fenoxaprop-P-ethyl and iodosulfuron-methyl-sodium. It is not approved for use within the European Union. It has a role as a herbicide safener and an agrochemical. It is an ethyl ester and an isoxazoline. It derives from an isoxadifen.

SMILES: CCOC(=O)C1=NOC(c2ccccc2)(c2ccccc2)C1

SELFIES: [C][C][O][C][=Branch1][C][=O][C][=N][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P]

InChI: InChI=1S/C18H17NO3/c1-2-21-17(20)16-13-18(22-19-16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3

Molecular Properties:
- Polar Surface Area: 47.9 Ų
- LogP: 3.5