Molecule ID: 135854812

IUPAC Name: 2-benzyl-5-hydroxy-1,3-oxazole-4-carbaldehyde

Description: The molecule is a 1,3-oxazole having benzyl, hydroxymethylene and oxo groups at positions 2, 4 and 5 respectively. It is a member of 1,3-oxazoles and a gamma-lactone. It is a conjugate acid of a 2-benzyl-4-oxidomethylene-5-oxazolone(1-).

SMILES: O=Cc1nc(Cc2ccccc2)oc1O

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

InChI: InChI=1S/C11H9NO3/c13-7-9-11(14)15-10(12-9)6-8-4-2-1-3-5-8/h1-5,7,14H,6H2

Molecular Properties:
- Polar Surface Area: 63.3 Ų
- LogP: 2.6