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

• ChemBase ID: 429727
• Molecular Formular: C13H19N3O3
• Molecular Mass: 265.30826
• Monoisotopic Mass: 265.14264148
• SMILES: n1c(noc1C)CN1C(=O)CCC2(OCCC2)CC1
• Canonical SMILES: O=C1CCC2(CCN1Cc1noc(n1)C)CCCO2
• InChI: InChI=1S/C13H19N3O3/c1-10-14-11(15-19-10)9-16-7-6-13(4-2-8-18-13)5-3-12(16)17/h2-9H2,1H3
• InChIKey: CVYYXHZGUZWPFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
• IUPAC Traditional name: 8-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
• Synonyms: 8-[(5-methyl-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): 0.09306035
• LogD (pH = 7.4): 0.09306046
• Log P: 0.09306046
• Molar Refractivity: 69.3444 cm^3
• Polarizability: 26.146086 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.04
• LOG S: -2.48
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 2