(5-ethyl-1,2,4-oxadiazol-3-yl)methanol

• ChemBase ID: 307260
• Molecular Formular: C5H8N2O2
• Molecular Mass: 128.12922
• Monoisotopic Mass: 128.05857751
• SMILES: n1c(noc1CC)CO
• Canonical SMILES: CCc1onc(n1)CO
• InChI: InChI=1S/C5H8N2O2/c1-2-5-6-4(3-8)7-9-5/h8H,2-3H2,1H3
• InChIKey: RGTPYSSBXLVYCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-ethyl-1,2,4-oxadiazol-3-yl)methanol
• IUPAC Traditional name: (5-ethyl-1,2,4-oxadiazol-3-yl)methanol
• Synonyms: (5-ethyl-1,2,4-oxadiazol-3-yl)methanol

Database IDs

• CAS Number: 915920-77-3
• MDL Number: MFCD08691573

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3601606
• LogD (pH = 7.4): 0.36015996
• Log P: 0.36016062
• Molar Refractivity: 32.0683 cm^3
• Polarizability: 11.611256 Å^3
• Polar Surface Area: 59.15 Å^2