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

• ChemBase ID: 307637
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: c1(nnc(o1)CO)C1CC1
• Canonical SMILES: OCc1nnc(o1)C1CC1
• InChI: InChI=1S/C6H8N2O2/c9-3-5-7-8-6(10-5)4-1-2-4/h4,9H,1-3H2
• InChIKey: JCYNQTKDMQIYBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1211144-22-7
• MDL Number: MFCD13188555

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.83663684
• LogD (pH = 7.4): -0.83663803
• Log P: -0.83663684
• Molar Refractivity: 34.9664 cm^3
• Polarizability: 12.725182 Å^3
• Polar Surface Area: 59.15 Å^2