4-{[3-(2-chlorophenoxy)azetidin-1-yl]methyl}-2-methyl-1,3-oxazole

• ChemBase ID: 788995
• Molecular Formular: C14H15ClN2O2
• Molecular Mass: 278.7341
• Monoisotopic Mass: 278.08220541
• SMILES: n1c(coc1C)CN1CC(Oc2c(Cl)cccc2)C1
• Canonical SMILES: Cc1occ(n1)CN1CC(C1)Oc1ccccc1Cl
• InChI: InChI=1S/C14H15ClN2O2/c1-10-16-11(9-18-10)6-17-7-12(8-17)19-14-5-3-2-4-13(14)15/h2-5,9,12H,6-8H2,1H3
• InChIKey: WAKUNSNLQIMPAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{[3-(2-chlorophenoxy)azetidin-1-yl]methyl}-2-methyl-1,3-oxazole
• IUPAC Traditional name: 4-{[3-(2-chlorophenoxy)azetidin-1-yl]methyl}-2-methyl-1,3-oxazole
• Synonyms: 4-{[3-(2-chlorophenoxy)-1-azetidinyl]methyl}-2-methyl-1,3-oxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.148994
• LogD (pH = 7.4): 2.1967628
• Log P: 2.197407
• Molar Refractivity: 72.2868 cm^3
• Polarizability: 28.410408 Å^3
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.6
• LOG S: -1.59
• Polar Surface Area: 38.5 Å^2
• Rotatable Bonds: 4