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

• ChemBase ID: 372482
• Molecular Formular: C17H28N4O3
• Molecular Mass: 336.42922
• Monoisotopic Mass: 336.21614078
• SMILES: n1c(noc1C)CN1CC2(CN(C(=O)CC2)CCCOC)CCC1
• Canonical SMILES: COCCCN1CC2(CCCN(C2)Cc2noc(n2)C)CCC1=O
• InChI: InChI=1S/C17H28N4O3/c1-14-18-15(19-24-14)11-20-8-3-6-17(12-20)7-5-16(22)21(13-17)9-4-10-23-2/h3-13H2,1-2H3
• InChIKey: FPPZPVIYMLNASU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.38507643
• LogD (pH = 7.4): 0.4392518
• Log P: 0.47190663
• Molar Refractivity: 92.0852 cm^3
• Polarizability: 34.994778 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.57
• LOG S: -2.14
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 6