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

• ChemBase ID: 786690
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: n1c(noc1C1CCC1)CN(CCc1ccccc1)CC
• Canonical SMILES: CCN(Cc1noc(n1)C1CCC1)CCc1ccccc1
• InChI: InChI=1S/C17H23N3O/c1-2-20(12-11-14-7-4-3-5-8-14)13-16-18-17(21-19-16)15-9-6-10-15/h3-5,7-8,15H,2,6,9-13H2,1H3
• InChIKey: NMFFOTMUKPXKAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 7
• H Acceptors: 4
• H Donor: 0
• Log P: 3.39
• LOG S: -3.17
• Polar Surface Area: 42.16 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.591781
• LogD (pH = 7.4): 3.7965672
• Log P: 3.889364
• Molar Refractivity: 85.2846 cm^3
• Polarizability: 32.24365 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 7