Molecule ID: 4723

IUPAC Name: 2-amino-5-phenyl-1,3-oxazol-4-one

Description: The molecule is a member of the class of 1,3-oxazoles that is 1,3-oxazol-4(5H)-one which is substituted by an amino group at position 2 and by a phenyl group at position 5. A central nervous system stimulant, it was used to treat hyperactivity disorders in children, but withdrawn from use following reports of serious hepatotoxicity. It has a role as a central nervous system stimulant.

SMILES: N=C1N=C(O)C(c2ccccc2)O1

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

InChI: InChI=1S/C9H8N2O2/c10-9-11-8(12)7(13-9)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12)

Molecular Properties:
- Polar Surface Area: 64.7 Ų
- LogP: 0.9