N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide

• ChemBase ID: 487910
• Molecular Formular: C12H17N5O2
• Molecular Mass: 263.29568
• Monoisotopic Mass: 263.13822481
• SMILES: c1(ncnn1CC)C(NC(=O)Cc1onc(c1)C)C
• Canonical SMILES: CCn1ncnc1C(NC(=O)Cc1onc(c1)C)C
• InChI: InChI=1S/C12H17N5O2/c1-4-17-12(13-7-14-17)9(3)15-11(18)6-10-5-8(2)16-19-10/h5,7,9H,4,6H2,1-3H3,(H,15,18)
• InChIKey: AKLWQGFNMMGKIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
• IUPAC Traditional name: N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
• Synonyms: N-[1-(1-ethyl-1H-1,2,4-triazol-5-yl)ethyl]-2-(3-methylisoxazol-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.120667
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.0918476
• LogD (pH = 7.4): -0.09181144
• Log P: -0.091803566
• Molar Refractivity: 81.2551 cm^3
• Polarizability: 25.849815 Å^3
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.85
• LOG S: -1.71
• Polar Surface Area: 85.84 Å^2
• Rotatable Bonds: 5