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

• ChemBase ID: 510364
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: c1(nc(on1)CN1C(CCc2ncccc2)CCCC1)c1nccnc1
• Canonical SMILES: c1ccc(nc1)CCC1CCCCN1Cc1onc(n1)c1nccnc1
• InChI: InChI=1S/C19H22N6O/c1-3-9-21-15(5-1)7-8-16-6-2-4-12-25(16)14-18-23-19(24-26-18)17-13-20-10-11-22-17/h1,3,5,9-11,13,16H,2,4,6-8,12,14H2
• InChIKey: OWDZNTSJAHEXBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.257212
• LogD (pH = 7.4): 1.529157
• Log P: 2.139209
• Molar Refractivity: 108.4692 cm^3
• Polarizability: 38.090622 Å^3
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.42
• LOG S: -2.05
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 6