2-(5-fluoro-2-methylphenyl)-N-{1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

• ChemBase ID: 834674
• Molecular Formular: C16H20FN3O2
• Molecular Mass: 305.3473032
• Monoisotopic Mass: 305.15395512
• SMILES: n1c(onc1C(C)C)C(NC(=O)Cc1c(ccc(c1)F)C)C
• Canonical SMILES: O=C(Cc1cc(F)ccc1C)NC(c1onc(n1)C(C)C)C
• InChI: InChI=1S/C16H20FN3O2/c1-9(2)15-19-16(22-20-15)11(4)18-14(21)8-12-7-13(17)6-5-10(12)3/h5-7,9,11H,8H2,1-4H3,(H,18,21)
• InChIKey: MOGOFRSMOZWYIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoro-2-methylphenyl)-N-{1-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(5-fluoro-2-methylphenyl)-N-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
• Synonyms: 2-(5-fluoro-2-methylphenyl)-N-[1-(3-isopropyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.724797
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.644515
• LogD (pH = 7.4): 3.6444967
• Log P: 3.6445153
• Molar Refractivity: 82.2175 cm^3
• Polarizability: 30.525877 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.07
• LOG S: -3.19
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 5