8-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one

• ChemBase ID: 632277
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: n1c(noc1C1CCCC1)CN1C(=O)CCC2(OCCC2)CC1
• Canonical SMILES: O=C1CCC2(CCN1Cc1noc(n1)C1CCCC1)CCCO2
• InChI: InChI=1S/C17H25N3O3/c21-15-6-8-17(7-3-11-22-17)9-10-20(15)12-14-18-16(23-19-14)13-4-1-2-5-13/h13H,1-12H2
• InChIKey: YURZDYHZPSAXEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
• IUPAC Traditional name: 8-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
• Synonyms: 8-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6487359
• LogD (pH = 7.4): 1.648736
• Log P: 1.648736
• Molar Refractivity: 85.9456 cm^3
• Polarizability: 32.74853 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.53
• LOG S: -2.84
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 3