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

• ChemBase ID: 308603
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: n1c(noc1CO)C1CC1
• Canonical SMILES: OCc1onc(n1)C1CC1
• InChI: InChI=1S/C6H8N2O2/c9-3-5-7-6(8-10-5)4-1-2-4/h4,9H,1-3H2
• InChIKey: PGFKSKNXDXPOPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1123169-46-9
• MDL Number: MFCD12138033

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.4263878
• LogD (pH = 7.4): 0.42638627
• Log P: 0.42638782
• Molar Refractivity: 34.8406 cm^3
• Polarizability: 12.725097 Å^3
• Polar Surface Area: 59.15 Å^2