1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one

• ChemBase ID: 498294
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: n1c(noc1CCC(=O)N1CCC2(OCCC2)CC1)c1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CCCO2)CCc1onc(n1)c1ccccc1
• InChI: InChI=1S/C19H23N3O3/c23-17(22-12-10-19(11-13-22)9-4-14-24-19)8-7-16-20-18(21-25-16)15-5-2-1-3-6-15/h1-3,5-6H,4,7-14H2
• InChIKey: QSQSICHEOADLIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
• IUPAC Traditional name: 1-{1-oxa-8-azaspiro[4.5]decan-8-yl}-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-one
• Synonyms: 8-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoyl]-1-oxa-8-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9259362
• LogD (pH = 7.4): 1.9259363
• Log P: 1.9259363
• Molar Refractivity: 104.9409 cm^3
• Polarizability: 36.422142 Å^3
• Polar Surface Area: 68.46 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: 2.72
• LOG S: -4.01
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4