Molecule ID: 136093825

IUPAC Name: (E)-4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]but-2-enoic acid

Description: The molecule is a monocarboxylic acid that is but-2-enoic acid in which one of the hydrogens at position 4 is substituted by a [(E)-(5-oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]amino moiety. It is a member of 1,3-oxazoles, a monocarboxylic acid and an enamine.

SMILES: O=C(O)/C=C/CN=Cc1nc(-c2ccccc2)oc1O

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

InChI: InChI=1S/C14H12N2O4/c17-12(18)7-4-8-15-9-11-14(19)20-13(16-11)10-5-2-1-3-6-10/h1-7,9,19H,8H2,(H,17,18)/b7-4+,15-9?

Molecular Properties:
- Polar Surface Area: 95.9 Ų
- LogP: 1.9