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

• ChemBase ID: 798479
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: o1c(ncc1)NC
• Canonical SMILES: CNc1ncco1
• InChI: InChI=1S/C4H6N2O/c1-5-4-6-2-3-7-4/h2-3H,1H3,(H,5,6)
• InChIKey: YWXMEOHQQJWIOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1,3-oxazol-2-amine
• IUPAC Traditional name: N-methyl-1,3-oxazol-2-amine
• Synonyms: 2-methylaminooxazole

Database IDs

• CAS Number: 99170-93-1

CALCULATED PROPERTIES

• Acid pKa: 14.126137
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.072104424
• LogD (pH = 7.4): 0.07216449
• Log P: 0.07216533
• Molar Refractivity: 26.4345 cm^3
• Polarizability: 9.332533 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%; 98%