2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 695037
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: c1(CN2C(=O)CC3(C2)CCN(CC3)CCOc2ccccc2)c(onc1C)C
• Canonical SMILES: O=C1CC2(CN1Cc1c(C)noc1C)CCN(CC2)CCOc1ccccc1
• InChI: InChI=1S/C22H29N3O3/c1-17-20(18(2)28-23-17)15-25-16-22(14-21(25)26)8-10-24(11-9-22)12-13-27-19-6-4-3-5-7-19/h3-7H,8-16H2,1-2H3
• InChIKey: YKAHXLRAYDPTRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(dimethyl-1,2-oxazol-4-yl)methyl]-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-8-(2-phenoxyethyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.3249458
• LogD (pH = 7.4): 0.3830672
• Log P: 1.6941438
• Molar Refractivity: 108.8972 cm^3
• Polarizability: 41.643204 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.54
• LOG S: -4.16
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 6