2-(2-chloro-6-fluorophenyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide

• ChemBase ID: 576520
• Molecular Formular: C15H15ClFN3O2
• Molecular Mass: 323.7499032
• Monoisotopic Mass: 323.08368264
• SMILES: n1c(onc1CN(C(=O)Cc1c(F)cccc1Cl)C)C1CC1
• Canonical SMILES: CN(C(=O)Cc1c(F)cccc1Cl)Cc1noc(n1)C1CC1
• InChI: InChI=1S/C15H15ClFN3O2/c1-20(8-13-18-15(22-19-13)9-5-6-9)14(21)7-10-11(16)3-2-4-12(10)17/h2-4,9H,5-8H2,1H3
• InChIKey: YZXCVMDAULETLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-6-fluorophenyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-(2-chloro-6-fluorophenyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide
• Synonyms: 2-(2-chloro-6-fluorophenyl)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9495533
• LogD (pH = 7.4): 2.9495533
• Log P: 2.9495533
• Molar Refractivity: 80.5817 cm^3
• Polarizability: 30.00644 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.57
• LOG S: -3.35
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5