3-(2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one

• ChemBase ID: 672269
• Molecular Formular: C18H25N3O2
• Molecular Mass: 315.41
• Monoisotopic Mass: 315.19467706
• SMILES: c1(=O)n(c2c(o1)cccc2)CCN1CCC2(CN(CC2)C)CC1
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)CCn1c(=O)oc2c1cccc2
• InChI: InChI=1S/C18H25N3O2/c1-19-9-6-18(14-19)7-10-20(11-8-18)12-13-21-15-4-2-3-5-16(15)23-17(21)22/h2-5H,6-14H2,1H3
• InChIKey: QJTHTDBTUISGKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}ethyl)-2,3-dihydro-1,3-benzoxazol-2-one
• IUPAC Traditional name: 3-(2-{2-methyl-2,8-diazaspiro[4.5]decan-8-yl}ethyl)-1,3-benzoxazol-2-one
• Synonyms: 3-[2-(2-methyl-2,8-diazaspiro[4.5]dec-8-yl)ethyl]-1,3-benzoxazol-2(3H)-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.4653296
• LogD (pH = 7.4): -1.5878642
• Log P: 1.606212
• Molar Refractivity: 90.3348 cm^3
• Polarizability: 35.157116 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.73
• LOG S: -1.97
• Polar Surface Area: 41.62 Å^2
• Rotatable Bonds: 3