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

• ChemBase ID: 307580
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: n1c(noc1CCC)CO
• Canonical SMILES: CCCc1onc(n1)CO
• InChI: InChI=1S/C6H10N2O2/c1-2-3-6-7-5(4-9)8-10-6/h9H,2-4H2,1H3
• InChIKey: AHNMFRIIVXIGBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915923-50-1
• MDL Number: MFCD08691623

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.7803998
• LogD (pH = 7.4): 0.78039914
• Log P: 0.7803998
• Molar Refractivity: 36.6693 cm^3
• Polarizability: 13.425863 Å^3
• Polar Surface Area: 59.15 Å^2