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

• ChemBase ID: 409826
• Molecular Formular: C23H31N3O3
• Molecular Mass: 397.51054
• Monoisotopic Mass: 397.23654187
• SMILES: c1(CN2C(=O)CC3(C2)CCN(CC3)CCCOc2ccccc2)c(onc1C)C
• Canonical SMILES: O=C1CC2(CN1Cc1c(C)noc1C)CCN(CC2)CCCOc1ccccc1
• InChI: InChI=1S/C23H31N3O3/c1-18-21(19(2)29-24-18)16-26-17-23(15-22(26)27)9-12-25(13-10-23)11-6-14-28-20-7-4-3-5-8-20/h3-5,7-8H,6,9-17H2,1-2H3
• InChIKey: XZLWAUUYAIGSJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4480526
• LogD (pH = 7.4): 0.14428751
• Log P: 1.7541035
• Molar Refractivity: 113.7626 cm^3
• Polarizability: 43.482956 Å^3
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.97
• LOG S: -4.63
• Polar Surface Area: 58.81 Å^2
• Rotatable Bonds: 7