1,3-oxazol-4-amine

• ChemBase ID: 802797
• Molecular Formular: C3H4N2O
• Molecular Mass: 84.07666
• Monoisotopic Mass: 84.03236276
• SMILES: o1cnc(c1)N
• Canonical SMILES: Nc1cocn1
• InChI: InChI=1S/C3H4N2O/c4-3-1-6-2-5-3/h1-2H,4H2
• InChIKey: NXWFZLSDGBWCMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-oxazol-4-amine
• IUPAC Traditional name: 1,3-oxazol-4-amine
• Synonyms: OXAZOL-4-AMINE

Database IDs

• CAS Number: 110926-01-7

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: 98%