(4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one

• ChemBase ID: 119355
• Molecular Formular: C18H13NO2
• Molecular Mass: 275.30132
• Monoisotopic Mass: 275.09462866
• SMILES: N1=C(OC(=O)/C/1=C/C=C/c1ccccc1)c1ccccc1
• Canonical SMILES: O=C1OC(=N/C/1=C\C=C\c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H13NO2/c20-18-16(13-7-10-14-8-3-1-4-9-14)19-17(21-18)15-11-5-2-6-12-15/h1-13H/b10-7+,16-13-
• InChIKey: AYHSMADDXZUZBX-SBFJKYRKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-4,5-dihydro-1,3-oxazol-5-one
• IUPAC Traditional name: (4Z)-2-phenyl-4-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-5-one
• Synonyms: (Z)-2-phenyl-4-((E)-3-phenylallylidene)oxazol-5(4H)-one

Database IDs

• PubChem SID: 162107808
• PubChem CID: 689987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3675933
• LogD (pH = 7.4): 4.367594
• Log P: 4.367594
• Molar Refractivity: 84.1472 cm^3
• Polarizability: 31.323652 Å^3
• Polar Surface Area: 38.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Cis/trans Isomers
• Classification: Derivatives & analogs of Natural Compounds