Molecule ID: 71300861

IUPAC Name: (3R)-5-(4-chlorophenyl)-2,3-dimethyl-3-pyridin-3-yl-1,2-oxazolidine

Description: The molecule is a diastereoisomeric mixture of (3R,5S)- and (3R,5R)-pyrisoxazole. A novel isomeric fungicide primarily used for control of control tomato botrytis and also for fungal diseases of wheat and other crops. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It contains a (3R,5R)-pyrisoxazole and a (3R,5S)-pyrisoxazole.

SMILES: CN1OC(c2ccc(Cl)cc2)C[C@]1(C)c1cccnc1

SELFIES: [C][N][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C@][Ring1][N][Branch1][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1]

InChI: InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15?,16-/m1/s1

Molecular Properties:
- Polar Surface Area: 25.4 Ų
- LogP: 3.2