4-methoxy-N-(2-methoxyethyl)-2-{[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 735343
• Molecular Formular: C20H25N3O6
• Molecular Mass: 403.429
• Monoisotopic Mass: 403.17433554
• SMILES: c1(c(cc(cc1)OC)OC1CCN(C(=O)c2nocc2)CC1)C(=O)NCCOC
• Canonical SMILES: COc1ccc(c(c1)OC1CCN(CC1)C(=O)c1ccon1)C(=O)NCCOC
• InChI: InChI=1S/C20H25N3O6/c1-26-12-8-21-19(24)16-4-3-15(27-2)13-18(16)29-14-5-9-23(10-6-14)20(25)17-7-11-28-22-17/h3-4,7,11,13-14H,5-6,8-10,12H2,1-2H3,(H,21,24)
• InChIKey: CGBMQBWJRGKQFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: 4-methoxy-N-(2-methoxyethyl)-2-{[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: 2-{[1-(isoxazol-3-ylcarbonyl)piperidin-4-yl]oxy}-4-methoxy-N-(2-methoxyethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.198494
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.54351467
• LogD (pH = 7.4): 0.5435147
• Log P: 0.5435148
• Molar Refractivity: 105.4658 cm^3
• Polarizability: 39.596928 Å^3
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.91
• LOG S: -2.67
• Polar Surface Area: 103.13 Å^2
• Rotatable Bonds: 8