ethyl[2-(1H-pyrazol-1-yl)ethyl]{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 537377
• Molecular Formular: C15H18N6O
• Molecular Mass: 298.34302
• Monoisotopic Mass: 298.15420923
• SMILES: n1c(noc1CN(CCn1nccc1)CC)c1ncccc1
• Canonical SMILES: CCN(Cc1onc(n1)c1ccccn1)CCn1cccn1
• InChI: InChI=1S/C15H18N6O/c1-2-20(10-11-21-9-5-8-17-21)12-14-18-15(19-22-14)13-6-3-4-7-16-13/h3-9H,2,10-12H2,1H3
• InChIKey: SMHLVXLXVVRCNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl[2-(1H-pyrazol-1-yl)ethyl]{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: ethyl[2-(pyrazol-1-yl)ethyl]{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: N-ethyl-2-(1H-pyrazol-1-yl)-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.31122676
• LogD (pH = 7.4): 1.7217339
• Log P: 1.8879272
• Molar Refractivity: 105.167 cm^3
• Polarizability: 31.888336 Å^3
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 1.17
• LOG S: -1.5
• Polar Surface Area: 72.87 Å^2
• Rotatable Bonds: 6