2-(5-{[2-(pyridin-2-yl)piperidin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine

• ChemBase ID: 419336
• Molecular Formular: C17H18N6O
• Molecular Mass: 322.36442
• Monoisotopic Mass: 322.15420923
• SMILES: c1(nc(on1)CN1C(c2ncccc2)CCCC1)c1nccnc1
• Canonical SMILES: c1ccc(nc1)C1CCCCN1Cc1onc(n1)c1nccnc1
• InChI: InChI=1S/C17H18N6O/c1-3-7-19-13(5-1)15-6-2-4-10-23(15)12-16-21-17(22-24-16)14-11-18-8-9-20-14/h1,3,5,7-9,11,15H,2,4,6,10,12H2
• InChIKey: KULPTDGYSKYGCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-{[2-(pyridin-2-yl)piperidin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine
• IUPAC Traditional name: 2-(5-{[2-(pyridin-2-yl)piperidin-1-yl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine
• Synonyms: 2-(5-{[2-(2-pyridinyl)-1-piperidinyl]methyl}-1,2,4-oxadiazol-3-yl)pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.0823522
• LogD (pH = 7.4): 1.7663454
• Log P: 1.7881304
• Molar Refractivity: 99.0899 cm^3
• Polarizability: 34.4828 Å^3
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.71
• LOG S: -1.68
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 4