5-ethyl-1,3,4-oxadiazole-2-carbaldehyde

• ChemBase ID: 803262
• Molecular Formular: C5H6N2O2
• Molecular Mass: 126.11334
• Monoisotopic Mass: 126.04292744
• SMILES: o1c(nnc1CC)C=O
• Canonical SMILES: CCc1nnc(o1)C=O
• InChI: InChI=1S/C5H6N2O2/c1-2-4-6-7-5(3-8)9-4/h3H,2H2,1H3
• InChIKey: VFROXXDCHADKGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-1,3,4-oxadiazole-2-carbaldehyde
• IUPAC Traditional name: 5-ethyl-1,3,4-oxadiazole-2-carbaldehyde
• Synonyms: 5-ETHYL-1,3,4-OXADIAZOLE-2-CARBALDEHYDE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.15702611
• LogD (pH = 7.4): 0.15702613
• Log P: 0.15702613
• Molar Refractivity: 32.0992 cm^3
• Polarizability: 11.07851 Å^3
• Polar Surface Area: 55.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%