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

• ChemBase ID: 450650
• Molecular Formular: C16H16N6O
• Molecular Mass: 308.33784
• Monoisotopic Mass: 308.13855916
• SMILES: c1(nc(on1)CN1C(c2ncccc2)CCC1)c1nccnc1
• Canonical SMILES: c1ccc(nc1)C1CCCN1Cc1onc(n1)c1nccnc1
• InChI: InChI=1S/C16H16N6O/c1-2-6-18-12(4-1)14-5-3-9-22(14)11-15-20-16(21-23-15)13-10-17-7-8-19-13/h1-2,4,6-8,10,14H,3,5,9,11H2
• InChIKey: YVQORJBLYVOMGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.5617161
• LogD (pH = 7.4): 1.3392712
• Log P: 1.3678912
• Molar Refractivity: 94.4889 cm^3
• Polarizability: 32.643375 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: 0.15
• LOG S: -1.01
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 4