4-(propan-2-yl)-1,3-oxazol-2-amine

• ChemBase ID: 813730
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: o1c(nc(c1)C(C)C)N
• Canonical SMILES: CC(c1coc(n1)N)C
• InChI: InChI=1S/C6H10N2O/c1-4(2)5-3-9-6(7)8-5/h3-4H,1-2H3,(H2,7,8)
• InChIKey: WIOHEPKTAHGOHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)-1,3-oxazol-2-amine
• IUPAC Traditional name: 4-isopropyl-1,3-oxazol-2-amine
• Synonyms: 4-isopropyloxazol-2-amine

Database IDs

• CAS Number: 229003-15-0

CALCULATED PROPERTIES

• Acid pKa: 14.219937
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1448965
• LogD (pH = 7.4): 1.1453477
• Log P: 1.1453536
• Molar Refractivity: 34.734 cm^3
• Polarizability: 12.912695 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%