3-(naphthalene-2-carbonyl)-1-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperidine

• ChemBase ID: 470968
• Molecular Formular: C23H24N2O3
• Molecular Mass: 376.44826
• Monoisotopic Mass: 376.17869264
• SMILES: c1(noc(c1)C(C)C)C(=O)N1CC(C(=O)c2cc3c(cc2)cccc3)CCC1
• Canonical SMILES: O=C(c1ccc2c(c1)cccc2)C1CCCN(C1)C(=O)c1noc(c1)C(C)C
• InChI: InChI=1S/C23H24N2O3/c1-15(2)21-13-20(24-28-21)23(27)25-11-5-8-19(14-25)22(26)18-10-9-16-6-3-4-7-17(16)12-18/h3-4,6-7,9-10,12-13,15,19H,5,8,11,14H2,1-2H3
• InChIKey: XDTMMUUHRZICSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(naphthalene-2-carbonyl)-1-[5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperidine
• IUPAC Traditional name: 1-(5-isopropyl-1,2-oxazole-3-carbonyl)-3-(naphthalene-2-carbonyl)piperidine
• Synonyms: {1-[(5-isopropyl-3-isoxazolyl)carbonyl]-3-piperidinyl}(2-naphthyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.313366
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.081424
• LogD (pH = 7.4): 4.081424
• Log P: 4.081424
• Molar Refractivity: 108.6403 cm^3
• Polarizability: 42.069706 Å^3
• Polar Surface Area: 63.41 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.83
• LOG S: -5.17
• Polar Surface Area: 63.41 Å^2
• Rotatable Bonds: 3