4-{[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}-N-(2-phenylethyl)benzamide

• ChemBase ID: 502891
• Molecular Formular: C25H27N3O4
• Molecular Mass: 433.49958
• Monoisotopic Mass: 433.20015636
• SMILES: c1(noc(c1)C)C(=O)N1CCC(CC1)Oc1ccc(C(=O)NCCc2ccccc2)cc1
• Canonical SMILES: Cc1onc(c1)C(=O)N1CCC(CC1)Oc1ccc(cc1)C(=O)NCCc1ccccc1
• InChI: InChI=1S/C25H27N3O4/c1-18-17-23(27-32-18)25(30)28-15-12-22(13-16-28)31-21-9-7-20(8-10-21)24(29)26-14-11-19-5-3-2-4-6-19/h2-10,17,22H,11-16H2,1H3,(H,26,29)
• InChIKey: LYRKCTDDDVHAEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}-N-(2-phenylethyl)benzamide
• IUPAC Traditional name: 4-{[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxy}-N-(2-phenylethyl)benzamide
• Synonyms: 4-({1-[(5-methyl-3-isoxazolyl)carbonyl]-4-piperidinyl}oxy)-N-(2-phenylethyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.059774
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.960857
• LogD (pH = 7.4): 2.9608572
• Log P: 2.9608572
• Molar Refractivity: 122.4764 cm^3
• Polarizability: 45.789787 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: 2.4
• LOG S: -6.56
• Polar Surface Area: 84.67 Å^2
• Rotatable Bonds: 7