N-(3-methoxyphenyl)-3-[1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]propanamide

• ChemBase ID: 405552
• Molecular Formular: C25H27N3O4
• Molecular Mass: 433.49958
• Monoisotopic Mass: 433.20015636
• SMILES: c1(cc(no1)c1ccccc1)C(=O)N1CCC(CC1)CCC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)CCC1CCN(CC1)C(=O)c1onc(c1)c1ccccc1
• InChI: InChI=1S/C25H27N3O4/c1-31-21-9-5-8-20(16-21)26-24(29)11-10-18-12-14-28(15-13-18)25(30)23-17-22(27-32-23)19-6-3-2-4-7-19/h2-9,16-18H,10-15H2,1H3,(H,26,29)
• InChIKey: LJLCCJDEGHESPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.785154
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5717719
• LogD (pH = 7.4): 3.5717716
• Log P: 3.5717719
• Molar Refractivity: 123.312 cm^3
• Polarizability: 47.416855 Å^3
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.46
• LOG S: -6.33
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 6