2-(4-methoxyphenyl)-N-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]methyl}acetamide

• ChemBase ID: 688884
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: c1(C(=O)N2CC(CNC(=O)Cc3ccc(cc3)OC)CCC2)c(nco1)C
• Canonical SMILES: COc1ccc(cc1)CC(=O)NCC1CCCN(C1)C(=O)c1ocnc1C
• InChI: InChI=1S/C20H25N3O4/c1-14-19(27-13-22-14)20(25)23-9-3-4-16(12-23)11-21-18(24)10-15-5-7-17(26-2)8-6-15/h5-8,13,16H,3-4,9-12H2,1-2H3,(H,21,24)
• InChIKey: VPVFOBLTRZKCJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)-N-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-(4-methoxyphenyl)-N-{[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-3-yl]methyl}acetamide
• Synonyms: 2-(4-methoxyphenyl)-N-({1-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-3-piperidinyl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.015418
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.47335118
• LogD (pH = 7.4): 0.47335133
• Log P: 0.47335136
• Molar Refractivity: 100.8381 cm^3
• Polarizability: 38.277985 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.05
• LOG S: -3.84
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 5