3-{[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl}pyridin-2-amine

• ChemBase ID: 529365
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: c1(noc(c1)C)C1N(Cc2c(nccc2)N)CCCC1
• Canonical SMILES: Cc1onc(c1)C1CCCCN1Cc1cccnc1N
• InChI: InChI=1S/C15H20N4O/c1-11-9-13(18-20-11)14-6-2-3-8-19(14)10-12-5-4-7-17-15(12)16/h4-5,7,9,14H,2-3,6,8,10H2,1H3,(H2,16,17)
• InChIKey: ULDWWXIVSNFKEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl}pyridin-2-amine
• IUPAC Traditional name: 3-{[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methyl}pyridin-2-amine
• Synonyms: 3-{[2-(5-methylisoxazol-3-yl)piperidin-1-yl]methyl}pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5378755
• LogD (pH = 7.4): 1.7966819
• Log P: 1.8948759
• Molar Refractivity: 80.0271 cm^3
• Polarizability: 29.750637 Å^3
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.91
• LOG S: -0.96
• Polar Surface Area: 68.18 Å^2
• Rotatable Bonds: 3