[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]methanol

• ChemBase ID: 307406
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: n1c(oc(n1)CO)C(C)C
• Canonical SMILES: OCc1nnc(o1)C(C)C
• InChI: InChI=1S/C6H10N2O2/c1-4(2)6-8-7-5(3-9)10-6/h4,9H,3H2,1-2H3
• InChIKey: RXTQZBAFYARQJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]methanol
• IUPAC Traditional name: (5-isopropyl-1,3,4-oxadiazol-2-yl)methanol
• Synonyms: (5-isopropyl-1,3,4-oxadiazol-2-yl)methanol

Database IDs

• CAS Number: 1211131-67-7
• MDL Number: MFCD13188553

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.37291095
• LogD (pH = 7.4): -0.37291214
• Log P: -0.37291092
• Molar Refractivity: 36.7686 cm^3
• Polarizability: 13.425477 Å^3
• Polar Surface Area: 59.15 Å^2