1-(2-fluorophenyl)-N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}cyclopropane-1-carboxamide

• ChemBase ID: 354133
• Molecular Formular: C19H17FN4O2
• Molecular Mass: 352.3622832
• Monoisotopic Mass: 352.13355402
• SMILES: C1(C(=O)N(Cc2nc(no2)c2ccncc2)C)(CC1)c1c(F)cccc1
• Canonical SMILES: CN(C(=O)C1(CC1)c1ccccc1F)Cc1onc(n1)c1ccncc1
• InChI: InChI=1S/C19H17FN4O2/c1-24(12-16-22-17(23-26-16)13-6-10-21-11-7-13)18(25)19(8-9-19)14-4-2-3-5-15(14)20/h2-7,10-11H,8-9,12H2,1H3
• InChIKey: YQOUIRQNQGHOFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(2-fluorophenyl)-N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}cyclopropane-1-carboxamide
• Synonyms: 1-(2-fluorophenyl)-N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.935333
• LogD (pH = 7.4): 2.9358752
• Log P: 2.935882
• Molar Refractivity: 104.2808 cm^3
• Polarizability: 35.626392 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.19
• LOG S: -2.78
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 5