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

• ChemBase ID: 307393
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1c(onc1CO)C1CC1
• Canonical SMILES: OCc1noc(n1)C1CC1
• InChI: InChI=1S/C6H8N2O2/c9-3-5-7-6(10-8-5)4-1-2-4/h4,9H,1-3H2
• InChIKey: OTSUEZKWAUCIHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 915920-06-8
• MDL Number: MFCD08691585

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42638782
• LogD (pH = 7.4): 0.4263872
• Log P: 0.42638782
• Molar Refractivity: 34.8406 cm^3
• Polarizability: 12.725424 Å^3
• Polar Surface Area: 59.15 Å^2