{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}methanol

• ChemBase ID: 307594
• Molecular Formular: C6H11N3O2
• Molecular Mass: 157.17044
• Monoisotopic Mass: 157.08512661
• SMILES: n1c(noc1CO)CN(C)C
• Canonical SMILES: OCc1onc(n1)CN(C)C
• InChI: InChI=1S/C6H11N3O2/c1-9(2)3-5-7-6(4-10)11-8-5/h10H,3-4H2,1-2H3
• InChIKey: VQLPMDKOCKUBRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}methanol
• IUPAC Traditional name: {3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}methanol
• Synonyms: {3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}methanol

Database IDs

• CAS Number: 1208483-04-8
• MDL Number: MFCD12198427

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.87127244
• LogD (pH = 7.4): -0.40909418
• Log P: -0.3984458
• Molar Refractivity: 40.8704 cm^3
• Polarizability: 15.024815 Å^3
• Polar Surface Area: 62.39 Å^2