ethyl 2-(1,3,4-oxadiazol-2-yl)acetate

• ChemBase ID: 803468
• Molecular Formular: C6H8N2O3
• Molecular Mass: 156.13932
• Monoisotopic Mass: 156.05349213
• SMILES: O(C(=O)Cc1ocnn1)CC
• Canonical SMILES: CCOC(=O)Cc1nnco1
• InChI: InChI=1S/C6H8N2O3/c1-2-10-6(9)3-5-8-7-4-11-5/h4H,2-3H2,1H3
• InChIKey: WOJMTLHPUUHFFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(1,3,4-oxadiazol-2-yl)acetate
• IUPAC Traditional name: ethyl 2-(1,3,4-oxadiazol-2-yl)acetate
• Synonyms: ETHYL 1,3,4-OXADIAZOL-2-YLACETATE

CALCULATED PROPERTIES

• Acid pKa: 18.23123
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.52731925
• LogD (pH = 7.4): -0.52731925
• Log P: -0.52731925
• Molar Refractivity: 37.2861 cm^3
• Polarizability: 13.729178 Å^3
• Polar Surface Area: 65.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%