N-(2-chloropyridin-3-yl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide

• ChemBase ID: 596167
• Molecular Formular: C15H17ClN4O2
• Molecular Mass: 320.77408
• Monoisotopic Mass: 320.10400348
• SMILES: C(=O)(N1C(c2noc(c2)C)CCCC1)Nc1c(nccc1)Cl
• Canonical SMILES: O=C(N1CCCCC1c1noc(c1)C)Nc1cccnc1Cl
• InChI: InChI=1S/C15H17ClN4O2/c1-10-9-12(19-22-10)13-6-2-3-8-20(13)15(21)18-11-5-4-7-17-14(11)16/h4-5,7,9,13H,2-3,6,8H2,1H3,(H,18,21)
• InChIKey: PCTCZCXXUKXKEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-chloropyridin-3-yl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2-chloropyridin-3-yl)-2-(5-methyl-1,2-oxazol-3-yl)piperidine-1-carboxamide
• Synonyms: N-(2-chloropyridin-3-yl)-2-(5-methylisoxazol-3-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.236673
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3636794
• LogD (pH = 7.4): 2.3636262
• Log P: 2.3636863
• Molar Refractivity: 85.6697 cm^3
• Polarizability: 31.441011 Å^3
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.42
• LOG S: -2.75
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 2