N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-indazol-1-yl)acetamide

• ChemBase ID: 730234
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: n1(ncc2c1cccc2)CC(=O)NCCc1nc(no1)CC
• Canonical SMILES: CCc1noc(n1)CCNC(=O)Cn1ncc2c1cccc2
• InChI: InChI=1S/C15H17N5O2/c1-2-13-18-15(22-19-13)7-8-16-14(21)10-20-12-6-4-3-5-11(12)9-17-20/h3-6,9H,2,7-8,10H2,1H3,(H,16,21)
• InChIKey: LZRSEICSNMDUKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-indazol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(indazol-1-yl)acetamide
• Synonyms: N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(1H-indazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 92.599 cm^3
• Polarizability: 31.524872 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 14.681405
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4434801
• LogD (pH = 7.4): 1.4434912
• Log P: 1.4434913

供应商提供(Chembridge)

• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 5
• H Acceptors: 6
• H Donor: 1
• Log P: 0.77
• LOG S: -3.53