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

• ChemBase ID: 208122
• Molecular Formular: C24H17NO6
• Molecular Mass: 415.39488
• Monoisotopic Mass: 415.10558727
• SMILES: C\1(=C/2\C=C(Oc3c2cccc3)c2cc(c(cc2)OC)OC)/N=C(OC1=O)c1occc1
• Canonical SMILES: COc1ccc(cc1OC)C1=C/C(=C\2/N=C(OC2=O)c2ccco2)/c2c(O1)cccc2
• InChI: InChI=1S/C24H17NO6/c1-27-18-10-9-14(12-21(18)28-2)20-13-16(15-6-3-4-7-17(15)30-20)22-24(26)31-23(25-22)19-8-5-11-29-19/h3-13H,1-2H3/b22-16-
• InChIKey: KHZFDGXTAVKVMB-JWGURIENSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164264032
• PubChem CID: 1782754

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.7054563
• LogD (pH = 7.4): 3.7054563
• Log P: 3.7054563
• Molar Refractivity: 113.9357 cm^3
• Polarizability: 42.828228 Å^3
• Polar Surface Area: 79.49 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds