8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 863006
• Molecular Formular: C17H28N4O2
• Molecular Mass: 320.42982
• Monoisotopic Mass: 320.22122616
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1nnc(o1)CC)CCC2)C(C)C
• Canonical SMILES: CCc1nnc(o1)CN1CCCC2(C1)CCC(=O)N(C2)C(C)C
• InChI: InChI=1S/C17H28N4O2/c1-4-14-18-19-15(23-14)10-20-9-5-7-17(11-20)8-6-16(22)21(12-17)13(2)3/h13H,4-12H2,1-3H3
• InChIKey: VVPFIDNFXYPNQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-isopropyl-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-2-isopropyl-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.88876075
• LogD (pH = 7.4): 0.4652352
• Log P: 0.60668314
• Molar Refractivity: 90.0964 cm^3
• Polarizability: 34.274975 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.75
• LOG S: -3.03
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4