5-{[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl}-1,2,4-oxadiazole-3-carboxamide

• ChemBase ID: 854448
• Molecular Formular: C15H23N5O4
• Molecular Mass: 337.37422
• Monoisotopic Mass: 337.17500424
• SMILES: c1(nc(on1)CN1CC2(C(=O)N(CCC2)CCOC)CC1)C(=O)N
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)Cc1onc(n1)C(=O)N
• InChI: InChI=1S/C15H23N5O4/c1-23-8-7-20-5-2-3-15(14(20)22)4-6-19(10-15)9-11-17-13(12(16)21)18-24-11/h2-10H2,1H3,(H2,16,21)
• InChIKey: LJNOWDFBQJDZJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl}-1,2,4-oxadiazole-3-carboxamide
• IUPAC Traditional name: 5-{[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl}-1,2,4-oxadiazole-3-carboxamide
• Synonyms: 5-{[7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]methyl}-1,2,4-oxadiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.183406
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.436726
• LogD (pH = 7.4): -0.95316315
• Log P: -0.74580836
• Molar Refractivity: 86.9395 cm^3
• Polarizability: 32.506947 Å^3
• Polar Surface Area: 114.79 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: -0.64
• LOG S: -2.42
• Polar Surface Area: 114.79 Å^2
• Rotatable Bonds: 6