2-ethyl-1,3,4-oxadiazole

• ChemBase ID: 287835
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: CCc1nnco1
• Canonical SMILES: CCc1nnco1
• InChI: InChI=1S/C4H6N2O/c1-2-4-6-5-3-7-4/h3H,2H2,1H3
• InChIKey: DHNLWBALDJWTTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1,3,4-oxadiazole
• IUPAC Traditional name: 2-ethyl-1,3,4-oxadiazole
• Synonyms: 2-Ethyl-1,3,4-oxadiazole

Database IDs

• CAS Number: 13148-61-3
• MDL Number: MFCD09755521
• PubChem SID: 180673366
• PubChem CID: 17244514

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.22171395
• LogD (pH = 7.4): -0.22171389
• Log P: -0.22171389
• Molar Refractivity: 26.0512 cm^3
• Polarizability: 9.104183 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%