4-{[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzamide

• ChemBase ID: 348883
• Molecular Formular: C20H18N2O6
• Molecular Mass: 382.36672
• Monoisotopic Mass: 382.11648631
• SMILES: n1c(oc(c1COc1ccc(C(=O)N)cc1)C)c1cc2c(c(c1)OC)OCO2
• Canonical SMILES: COc1cc(cc2c1OCO2)c1nc(c(o1)C)COc1ccc(cc1)C(=O)N
• InChI: InChI=1S/C20H18N2O6/c1-11-15(9-25-14-5-3-12(4-6-14)19(21)23)22-20(28-11)13-7-16(24-2)18-17(8-13)26-10-27-18/h3-8H,9-10H2,1-2H3,(H2,21,23)
• InChIKey: MNEQYOITRKVUPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzamide
• IUPAC Traditional name: 4-{[2-(7-methoxy-2H-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzamide
• Synonyms: 4-{[2-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]methoxy}benzamide

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.605866
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.103942
• LogD (pH = 7.4): 2.103945
• Log P: 2.103945
• Molar Refractivity: 108.8808 cm^3
• Polarizability: 38.325146 Å^3
• Polar Surface Area: 106.04 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 7
• H Donor: 1
• Log P: 2.9
• LOG S: -4.46
• Polar Surface Area: 106.04 Å^2