benzyl(ethyl){[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 517790
• Molecular Formular: C16H17N5O
• Molecular Mass: 295.33908
• Monoisotopic Mass: 295.14331019
• SMILES: c1(nc(on1)CN(Cc1ccccc1)CC)c1nccnc1
• Canonical SMILES: CCN(Cc1onc(n1)c1cnccn1)Cc1ccccc1
• InChI: InChI=1S/C16H17N5O/c1-2-21(11-13-6-4-3-5-7-13)12-15-19-16(20-22-15)14-10-17-8-9-18-14/h3-10H,2,11-12H2,1H3
• InChIKey: FULCJUHSMCQTIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(ethyl){[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: benzyl(ethyl){[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: N-benzyl-N-{[3-(2-pyrazinyl)-1,2,4-oxadiazol-5-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.46225363
• LogD (pH = 7.4): 1.9978697
• Log P: 2.2425466
• Molar Refractivity: 94.6303 cm^3
• Polarizability: 32.424316 Å^3
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.55
• LOG S: -1.44
• Polar Surface Area: 67.94 Å^2
• Rotatable Bonds: 5