4-methyl-1,3-oxazol-2-amine

• ChemBase ID: 54245
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: o1cc(nc1N)C
• Canonical SMILES: Cc1coc(n1)N
• InChI: InChI=1S/C4H6N2O/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
• InChIKey: VCZJVXLWQTXSPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1,3-oxazol-2-amine
• IUPAC Traditional name: 4-methyl-1,3-oxazol-2-amine
• Synonyms: 4-Methyl-oxazol-2-ylamine; 4-methyl-1,3-oxazol-2-amine; 2-amino-4-methyloxazole; 4-Methyloxazol-2-amine; 4-Methyl-1,3-oxazol-2-amine; 2-Amino-4-methyl-1,3-oxazole 97+%

Database IDs

• CAS Number: 35629-70-0
• MDL Number: MFCD00126682
• PubChem SID: 162059008
• PubChem CID: 535824

CALCULATED PROPERTIES

• Acid pKa: 14.250821
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.09880631
• LogD (pH = 7.4): -0.09817667
• Log P: -0.09816858
• Molar Refractivity: 25.5326 cm^3
• Polarizability: 9.261435 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.237

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 97%; 98%; TECH