7-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 612148
• Molecular Formular: C20H24FN3O2
• Molecular Mass: 357.4218632
• Monoisotopic Mass: 357.18525524
• SMILES: c1(C(=O)N2CC3(CN(Cc4c(F)cccc4)CCC3)CC2)c(nco1)C
• Canonical SMILES: Fc1ccccc1CN1CCCC2(C1)CCN(C2)C(=O)c1ocnc1C
• InChI: InChI=1S/C20H24FN3O2/c1-15-18(26-14-22-15)19(25)24-10-8-20(13-24)7-4-9-23(12-20)11-16-5-2-3-6-17(16)21/h2-3,5-6,14H,4,7-13H2,1H3
• InChIKey: AXLXETSYOJGTPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2-fluorophenyl)methyl]-2-(4-methyl-1,3-oxazole-5-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-fluorobenzyl)-2-[(4-methyl-1,3-oxazol-5-yl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.72642404
• LogD (pH = 7.4): 1.0294878
• Log P: 1.6794583
• Molar Refractivity: 97.7188 cm^3
• Polarizability: 36.834736 Å^3
• Polar Surface Area: 49.58 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: 2.01
• LOG S: -2.98
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 3