2-(dimethylamino)-2-(2-fluorophenyl)-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylacetamide

• ChemBase ID: 749680
• Molecular Formular: C17H23FN4O3
• Molecular Mass: 350.3879232
• Monoisotopic Mass: 350.17541884
• SMILES: n1c(onc1CCOC)CN(C(=O)C(c1c(F)cccc1)N(C)C)C
• Canonical SMILES: COCCc1noc(n1)CN(C(=O)C(c1ccccc1F)N(C)C)C
• InChI: InChI=1S/C17H23FN4O3/c1-21(2)16(12-7-5-6-8-13(12)18)17(23)22(3)11-15-19-14(20-25-15)9-10-24-4/h5-8,16H,9-11H2,1-4H3
• InChIKey: DMDWUSQQMWWALB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylacetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylacetamide
• Synonyms: 2-(dimethylamino)-2-(2-fluorophenyl)-N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.74367625
• LogD (pH = 7.4): 1.5821936
• Log P: 1.6161774
• Molar Refractivity: 92.5955 cm^3
• Polarizability: 34.68958 Å^3
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.45
• LOG S: -2.99
• Polar Surface Area: 71.7 Å^2
• Rotatable Bonds: 8