1,3-oxazol-4-amine hydrochloride

• ChemBase ID: 294666
• Molecular Formular: C3H5ClN2O
• Molecular Mass: 120.5376
• Monoisotopic Mass: 120.00904047
• SMILES: Nc1cocn1.Cl
• Canonical SMILES: Nc1cocn1.Cl
• InChI: InChI=1S/C3H4N2O.ClH/c4-3-1-6-2-5-3;/h1-2H,4H2;1H
• InChIKey: SOCDMVGSAKCGFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-oxazol-4-amine hydrochloride
• IUPAC Traditional name: 1,3-oxazol-4-amine hydrochloride
• Synonyms: Oxazol-4-amine hydrochloride

Database IDs

• PubChem SID: 180680197
• PubChem CID: 72183432

CALCULATED PROPERTIES

• Acid pKa: 18.034649
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3193365
• LogD (pH = 7.4): -0.3193313
• Log P: -0.31933123
• Molar Refractivity: 21.7813 cm^3
• Polarizability: 7.5160317 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%