5-amino-1,2-oxazol-3-ol

• ChemBase ID: 310175
• Molecular Formular: C3H4N2O2
• Molecular Mass: 100.07606
• Monoisotopic Mass: 100.02727738
• SMILES: c1c(onc1O)N
• Canonical SMILES: Oc1noc(c1)N
• InChI: InChI=1S/C3H4N2O2/c4-2-1-3(6)5-7-2/h1H,4H2,(H,5,6)
• InChIKey: SBAQXOKGHJGIGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1,2-oxazol-3-ol
• IUPAC Traditional name: 5-amino-1,2-oxazol-3-ol
• Synonyms: 5-amino-3-isoxazolol

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.16348372
• LogD (pH = 7.4): -1.1222504
• Log P: -0.11095152
• Molar Refractivity: 23.7481 cm^3
• Polarizability: 8.215897 Å^3
• Polar Surface Area: 72.28 Å^2