[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine

• ChemBase ID: 401670
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: n1c(onc1CN(Cc1ncc(cc1)CC)C)C1CC1
• Canonical SMILES: CCc1ccc(nc1)CN(Cc1noc(n1)C1CC1)C
• InChI: InChI=1S/C15H20N4O/c1-3-11-4-7-13(16-8-11)9-19(2)10-14-17-15(20-18-14)12-5-6-12/h4,7-8,12H,3,5-6,9-10H2,1-2H3
• InChIKey: GPGYIJOZOWKBHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine
• IUPAC Traditional name: [(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine
• Synonyms: 1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(5-ethylpyridin-2-yl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6056345
• LogD (pH = 7.4): 2.6892521
• Log P: 2.6904306
• Molar Refractivity: 78.1431 cm^3
• Polarizability: 29.50252 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.32
• LOG S: -0.01
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6