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

• ChemBase ID: 815734
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: o1c(ncc1C(C)C)N
• Canonical SMILES: CC(c1cnc(o1)N)C
• InChI: InChI=1S/C6H10N2O/c1-4(2)5-3-8-6(7)9-5/h3-4H,1-2H3,(H2,7,8)
• InChIKey: KJJSYXHWCOVXPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-1,3-oxazol-2-amine
• IUPAC Traditional name: 5-isopropyl-1,3-oxazol-2-amine
• Synonyms: 5-isopropyloxazol-2-amine

Database IDs

• CAS Number: 33124-06-0

CALCULATED PROPERTIES

• Acid pKa: 14.834313
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.85513407
• LogD (pH = 7.4): 0.8574877
• Log P: 0.8575178
• Molar Refractivity: 35.0864 cm^3
• Polarizability: 12.913025 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%