[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl](ethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 665499
• Molecular Formular: C15H20N4O
• Molecular Mass: 272.3455
• Monoisotopic Mass: 272.16371128
• SMILES: n1c(noc1C1CCC1)CN(Cc1ccncc1)CC
• Canonical SMILES: CCN(Cc1noc(n1)C1CCC1)Cc1ccncc1
• InChI: InChI=1S/C15H20N4O/c1-2-19(10-12-6-8-16-9-7-12)11-14-17-15(20-18-14)13-4-3-5-13/h6-9,13H,2-5,10-11H2,1H3
• InChIKey: OBWBRPJIZWPLDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl](ethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: [(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl](ethyl)(pyridin-4-ylmethyl)amine
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-(pyridin-4-ylmethyl)ethanamine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.015888
• LogD (pH = 7.4): 2.3741581
• Log P: 2.3812973
• Molar Refractivity: 78.3727 cm^3
• Polarizability: 29.578197 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 0
• Log P: 1.81
• LOG S: -0.42