(4Z)-4-[(1-methyl-1H-indol-3-yl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

• ChemBase ID: 219984
• Molecular Formular: C19H14N2O2
• Molecular Mass: 302.32666
• Monoisotopic Mass: 302.1055277
• SMILES: N1=C(OC(=O)/C/1=C/c1cn(c2c1cccc2)C)c1ccccc1
• Canonical SMILES: O=C1OC(=N/C/1=C\c1cn(c2c1cccc2)C)c1ccccc1
• InChI: InChI=1S/C19H14N2O2/c1-21-12-14(15-9-5-6-10-17(15)21)11-16-19(22)23-18(20-16)13-7-3-2-4-8-13/h2-12H,1H3/b16-11-
• InChIKey: PKAHZTBDGXLQJM-WJDWOHSUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-4-[(1-methyl-1H-indol-3-yl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
• IUPAC Traditional name: (4Z)-4-[(1-methylindol-3-yl)methylidene]-2-phenyl-1,3-oxazol-5-one

Database IDs

• PubChem SID: 164275894
• PubChem CID: 16375866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.1628156
• LogD (pH = 7.4): 4.162816
• Log P: 4.162816
• Molar Refractivity: 89.8118 cm^3
• Polarizability: 34.85755 Å^3
• Polar Surface Area: 43.59 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds