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

• ChemBase ID: 309765
• Molecular Formular: C5H9N3O2
• Molecular Mass: 143.14386
• Monoisotopic Mass: 143.06947654
• SMILES: n1c(onc1CCN)CO
• Canonical SMILES: NCCc1noc(n1)CO
• InChI: InChI=1S/C5H9N3O2/c6-2-1-4-7-5(3-9)10-8-4/h9H,1-3,6H2
• InChIKey: NOBHDXAFMIHGEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982752

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.105703
• LogD (pH = 7.4): -2.8286002
• Log P: -1.0075221
• Molar Refractivity: 35.5005 cm^3
• Polarizability: 13.1360855 Å^3
• Polar Surface Area: 85.17 Å^2