N-cyclopropyl-4-methoxy-3-{[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy}benzamide

• ChemBase ID: 576272
• Molecular Formular: C20H23N3O5
• Molecular Mass: 385.41372
• Monoisotopic Mass: 385.16377085
• SMILES: c1(C(=O)N2CCC(Oc3cc(C(=O)NC4CC4)ccc3OC)CC2)ocnc1
• Canonical SMILES: COc1ccc(cc1OC1CCN(CC1)C(=O)c1ocnc1)C(=O)NC1CC1
• InChI: InChI=1S/C20H23N3O5/c1-26-16-5-2-13(19(24)22-14-3-4-14)10-17(16)28-15-6-8-23(9-7-15)20(25)18-11-21-12-27-18/h2,5,10-12,14-15H,3-4,6-9H2,1H3,(H,22,24)
• InChIKey: FSIVLSFILPQZSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-methoxy-3-{[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy}benzamide
• IUPAC Traditional name: N-cyclopropyl-4-methoxy-3-{[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]oxy}benzamide
• Synonyms: N-cyclopropyl-4-methoxy-3-{[1-(1,3-oxazol-5-ylcarbonyl)piperidin-4-yl]oxy}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.807402
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.16755123
• LogD (pH = 7.4): 0.16755158
• Log P: 0.16755159
• Molar Refractivity: 101.1504 cm^3
• Polarizability: 38.142906 Å^3
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.67
• LOG S: -2.75
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 6