3-[(2-fluorophenyl)formamido]-N-methyl-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

• ChemBase ID: 682457
• Molecular Formular: C18H23FN4O3
• Molecular Mass: 362.3986232
• Monoisotopic Mass: 362.17541884
• SMILES: n1c(onc1CC(C)C)CN(C(=O)CCNC(=O)c1c(F)cccc1)C
• Canonical SMILES: CC(Cc1noc(n1)CN(C(=O)CCNC(=O)c1ccccc1F)C)C
• InChI: InChI=1S/C18H23FN4O3/c1-12(2)10-15-21-16(26-22-15)11-23(3)17(24)8-9-20-18(25)13-6-4-5-7-14(13)19/h4-7,12H,8-11H2,1-3H3,(H,20,25)
• InChIKey: BVQNUVUIRLZUBO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluorophenyl)formamido]-N-methyl-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
• IUPAC Traditional name: 3-[(2-fluorophenyl)formamido]-N-methyl-N-{[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
• Synonyms: 2-fluoro-N-{3-[[(3-isobutyl-1,2,4-oxadiazol-5-yl)methyl](methyl)amino]-3-oxopropyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.259924
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1294541
• LogD (pH = 7.4): 2.1294537
• Log P: 2.1294541
• Molar Refractivity: 95.6057 cm^3
• Polarizability: 35.338745 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.39
• LOG S: -3.03
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 8