N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 785505
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: n1c(noc1C1CCC1)CN(C(=O)C(N1CCCC1)c1cnccc1)CC
• Canonical SMILES: CCN(C(=O)C(c1cccnc1)N1CCCC1)Cc1noc(n1)C1CCC1
• InChI: InChI=1S/C20H27N5O2/c1-2-24(14-17-22-19(27-23-17)15-7-5-8-15)20(26)18(25-11-3-4-12-25)16-9-6-10-21-13-16/h6,9-10,13,15,18H,2-5,7-8,11-12,14H2,1H3
• InChIKey: CYFAFPKKIBKUKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-ethyl-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.5271477
• LogD (pH = 7.4): 1.9580321
• Log P: 2.1345232
• Molar Refractivity: 103.3592 cm^3
• Polarizability: 39.27936 Å^3
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.57
• LOG S: -1.94
• Polar Surface Area: 75.36 Å^2
• Rotatable Bonds: 7