2-(2-methoxyphenoxy)-N-{[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl}acetamide

• ChemBase ID: 440884
• Molecular Formular: C19H23N3O5
• Molecular Mass: 373.40302
• Monoisotopic Mass: 373.16377085
• SMILES: N1(C(=O)c2nocc2)CC(CNC(=O)COc2c(OC)cccc2)CCC1
• Canonical SMILES: COc1ccccc1OCC(=O)NCC1CCCN(C1)C(=O)c1ccon1
• InChI: InChI=1S/C19H23N3O5/c1-25-16-6-2-3-7-17(16)26-13-18(23)20-11-14-5-4-9-22(12-14)19(24)15-8-10-27-21-15/h2-3,6-8,10,14H,4-5,9,11-13H2,1H3,(H,20,23)
• InChIKey: DPPSYMKUYMFMKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenoxy)-N-{[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(2-methoxyphenoxy)-N-{[1-(1,2-oxazole-3-carbonyl)piperidin-3-yl]methyl}acetamide
• Synonyms: N-{[1-(isoxazol-3-ylcarbonyl)piperidin-3-yl]methyl}-2-(2-methoxyphenoxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.4277
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.91304815
• LogD (pH = 7.4): 0.9130481
• Log P: 0.91304815
• Molar Refractivity: 97.9699 cm^3
• Polarizability: 37.24085 Å^3
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.35
• LOG S: -2.93
• Polar Surface Area: 93.9 Å^2
• Rotatable Bonds: 7