N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-({[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)acetamide

• ChemBase ID: 317876
• Molecular Formular: C17H21N7O2
• Molecular Mass: 355.39434
• Monoisotopic Mass: 355.17567295
• SMILES: c1(c(n(nc1C)CC)C)NC(=O)CNCc1nc(no1)c1cnccc1
• Canonical SMILES: CCn1nc(c(c1C)NC(=O)CNCc1onc(n1)c1cccnc1)C
• InChI: InChI=1S/C17H21N7O2/c1-4-24-12(3)16(11(2)22-24)20-14(25)9-19-10-15-21-17(23-26-15)13-6-5-7-18-8-13/h5-8,19H,4,9-10H2,1-3H3,(H,20,25)
• InChIKey: WRIFNXPSDXAAPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-({[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)acetamide
• IUPAC Traditional name: N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-({[3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl]methyl}amino)acetamide
• Synonyms: N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-{[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4314375
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.065631025
• LogD (pH = 7.4): 0.653676
• Log P: 0.6697197
• Molar Refractivity: 120.2584 cm^3
• Polarizability: 36.631115 Å^3
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: -1.19
• LOG S: -2.08
• Polar Surface Area: 110.76 Å^2
• Rotatable Bonds: 7