1-[3-(2-fluorophenoxy)azetidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethan-1-one

• ChemBase ID: 719009
• Molecular Formular: C14H14FN3O3
• Molecular Mass: 291.2776632
• Monoisotopic Mass: 291.10191954
• SMILES: N1(C(=O)Cc2nonc2C)CC(C1)Oc1c(F)cccc1
• Canonical SMILES: O=C(N1CC(C1)Oc1ccccc1F)Cc1nonc1C
• InChI: InChI=1S/C14H14FN3O3/c1-9-12(17-21-16-9)6-14(19)18-7-10(8-18)20-13-5-3-2-4-11(13)15/h2-5,10H,6-8H2,1H3
• InChIKey: ULPLYZWOPZFSOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-fluorophenoxy)azetidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethan-1-one
• IUPAC Traditional name: 1-[3-(2-fluorophenoxy)azetidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• Synonyms: 3-{2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl}-4-methyl-1,2,5-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0324631
• LogD (pH = 7.4): 1.0324631
• Log P: 1.0324631
• Molar Refractivity: 72.0411 cm^3
• Polarizability: 26.976717 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.71
• LOG S: -1.93
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 4