(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

• ChemBase ID: 184483
• Molecular Formular: C16H11NO3
• Molecular Mass: 265.26344
• Monoisotopic Mass: 265.07389322
• SMILES: N1=C(OC(=O)/C/1=C/c1ccc(cc1)O)c1ccccc1
• Canonical SMILES: Oc1ccc(cc1)/C=C/1\N=C(OC1=O)c1ccccc1
• InChI: InChI=1S/C16H11NO3/c18-13-8-6-11(7-9-13)10-14-16(19)20-15(17-14)12-4-2-1-3-5-12/h1-10,18H/b14-10-
• InChIKey: GOSVXNVSKHMEIP-UVTDQMKNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
• IUPAC Traditional name: (4Z)-4-[(4-hydroxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Database IDs

• PubChem SID: 164240393
• PubChem CID: 1551587

CALCULATED PROPERTIES

• Acid pKa: 9.203375
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5367272
• LogD (pH = 7.4): 3.5300777
• Log P: 3.5368128
• Molar Refractivity: 75.8095 cm^3
• Polarizability: 28.461187 Å^3
• Polar Surface Area: 58.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds