N,4,5-trimethyl-1,3-oxazol-2-amine

• ChemBase ID: 814572
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: o1c(nc(c1C)C)NC
• Canonical SMILES: CNc1oc(c(n1)C)C
• InChI: InChI=1S/C6H10N2O/c1-4-5(2)9-6(7-3)8-4/h1-3H3,(H,7,8)
• InChIKey: VHDGXEDVFWLGPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,4,5-trimethyl-1,3-oxazol-2-amine
• IUPAC Traditional name: N,4,5-trimethyl-1,3-oxazol-2-amine
• Synonyms: N,4,5-trimethyloxazol-2-amine

Database IDs

• CAS Number: 1196156-36-1

CALCULATED PROPERTIES

• Acid pKa: 14.972305
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.40288946
• LogD (pH = 7.4): 0.4030942
• Log P: 0.40309682
• Molar Refractivity: 36.1757 cm^3
• Polarizability: 12.839923 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%