5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

• ChemBase ID: 336110
• Molecular Formular: C17H17FN4O2
• Molecular Mass: 328.3408832
• Monoisotopic Mass: 328.13355402
• SMILES: n1c(noc1c1cnc(N(CCOC)C)cc1)c1c(F)cccc1
• Canonical SMILES: COCCN(c1ccc(cn1)c1onc(n1)c1ccccc1F)C
• InChI: InChI=1S/C17H17FN4O2/c1-22(9-10-23-2)15-8-7-12(11-19-15)17-20-16(21-24-17)13-5-3-4-6-14(13)18/h3-8,11H,9-10H2,1-2H3
• InChIKey: WXRJLEZLNJSLTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
• IUPAC Traditional name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
• Synonyms: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methoxyethyl)-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.737182
• LogD (pH = 7.4): 3.8220336
• Log P: 3.8232358
• Molar Refractivity: 111.0319 cm^3
• Polarizability: 33.96732 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.08
• LOG S: -4.08
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5