2-(dimethylamino)-2-(4-fluorophenyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

• ChemBase ID: 785674
• Molecular Formular: C19H20FN5O2
• Molecular Mass: 369.3928032
• Monoisotopic Mass: 369.16010313
• SMILES: c1(nc(on1)CCNC(=O)C(c1ccc(cc1)F)N(C)C)c1ncccc1
• Canonical SMILES: CN(C(c1ccc(cc1)F)C(=O)NCCc1onc(n1)c1ccccn1)C
• InChI: InChI=1S/C19H20FN5O2/c1-25(2)17(13-6-8-14(20)9-7-13)19(26)22-12-10-16-23-18(24-27-16)15-5-3-4-11-21-15/h3-9,11,17H,10,12H2,1-2H3,(H,22,26)
• InChIKey: NRVLQNVHZGLZOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• IUPAC Traditional name: 2-(dimethylamino)-2-(4-fluorophenyl)-N-{2-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide
• Synonyms: 2-(dimethylamino)-2-(4-fluorophenyl)-N-{2-[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.278707
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0822856
• LogD (pH = 7.4): 2.4571044
• Log P: 2.606846
• Molar Refractivity: 109.5032 cm^3
• Polarizability: 37.8832 Å^3
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.93
• LOG S: -3.54
• Polar Surface Area: 84.15 Å^2
• Rotatable Bonds: 7