N-methyl-1,3-oxazol-4-amine

• ChemBase ID: 799313
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: N(C)c1ncoc1
• Canonical SMILES: CNc1cocn1
• InChI: InChI=1S/C4H6N2O/c1-5-4-2-7-3-6-4/h2-3,5H,1H3
• InChIKey: MJNWATLTCHWYDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,3-oxazol-4-amine
• IUPAC Traditional name: N-methyl-1,3-oxazol-4-amine
• Synonyms: Oxazol-4-yl-methylamine

Database IDs

• CAS Number: 55242-82-5

CALCULATED PROPERTIES

• Acid pKa: 18.089045
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.0176276
• LogD (pH = 7.4): -0.017627148
• Log P: -0.017627142
• Molar Refractivity: 27.2747 cm^3
• Polarizability: 9.332084 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%; 98%