N-(1-{[5-methyl-2-(naphthalen-2-yl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)acetamide

• ChemBase ID: 851472
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: n1c(c(oc1c1cc2c(cc1)cccc2)C)CN1CCC(NC(=O)C)CC1
• Canonical SMILES: CC(=O)NC1CCN(CC1)Cc1nc(oc1C)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C22H25N3O2/c1-15-21(14-25-11-9-20(10-12-25)23-16(2)26)24-22(27-15)19-8-7-17-5-3-4-6-18(17)13-19/h3-8,13,20H,9-12,14H2,1-2H3,(H,23,26)
• InChIKey: VZRGPIDFONDVSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.359656
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.25864378
• LogD (pH = 7.4): 1.8659003
• Log P: 2.1818385
• Molar Refractivity: 116.315 cm^3
• Polarizability: 42.623524 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.81
• LOG S: -4.25
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4