2-(furan-2-yl)-4-[2-(4-methoxyphenyl)-4H-chromen-4-ylidene]-4,5-dihydro-1,3-oxazol-5-one

• ChemBase ID: 209323
• Molecular Formular: C23H15NO5
• Molecular Mass: 385.3689
• Monoisotopic Mass: 385.09502259
• SMILES: C\1(=C/2\C=C(Oc3c2cccc3)c2ccc(cc2)OC)/N=C(OC1=O)c1occc1
• Canonical SMILES: COc1ccc(cc1)C1=C/C(=C\2/N=C(OC2=O)c2ccco2)/c2c(O1)cccc2
• InChI: InChI=1S/C23H15NO5/c1-26-15-10-8-14(9-11-15)20-13-17(16-5-2-3-6-18(16)28-20)21-23(25)29-22(24-21)19-7-4-12-27-19/h2-13H,1H3/b21-17-
• InChIKey: AAEUGQIUEXURBK-FXBPSFAMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(furan-2-yl)-4-[2-(4-methoxyphenyl)-4H-chromen-4-ylidene]-4,5-dihydro-1,3-oxazol-5-one
• IUPAC Traditional name: 2-(furan-2-yl)-4-[2-(4-methoxyphenyl)chromen-4-ylidene]-1,3-oxazol-5-one

Database IDs

• PubChem SID: 164265233
• PubChem CID: 1786213

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8631277
• LogD (pH = 7.4): 3.8631277
• Log P: 3.8631277
• Molar Refractivity: 107.4725 cm^3
• Polarizability: 40.296604 Å^3
• Polar Surface Area: 70.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds