N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide

• ChemBase ID: 579333
• Molecular Formular: C12H19N7O2
• Molecular Mass: 293.32496
• Monoisotopic Mass: 293.16002288
• SMILES: n1c(noc1CC(C)C)CN(C(=O)Cn1nnnc1)CC
• Canonical SMILES: CCN(C(=O)Cn1cnnn1)Cc1noc(n1)CC(C)C
• InChI: InChI=1S/C12H19N7O2/c1-4-18(12(20)7-19-8-13-16-17-19)6-10-14-11(21-15-10)5-9(2)3/h8-9H,4-7H2,1-3H3
• InChIKey: AOSPXKKRWVDSGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(1H-1,2,3,4-tetrazol-1-yl)acetamide
• IUPAC Traditional name: N-ethyl-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}-2-(1,2,3,4-tetrazol-1-yl)acetamide
• Synonyms: N-ethyl-N-[(5-isobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1H-tetrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.4419188
• LogD (pH = 7.4): 0.4419189
• Log P: 0.4419189
• Molar Refractivity: 88.94 cm^3
• Polarizability: 27.947166 Å^3
• Polar Surface Area: 102.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 0.56
• LOG S: -1.82
• Polar Surface Area: 102.83 Å^2
• Rotatable Bonds: 7