1-(1,3-oxazol-5-yl)ethan-1-amine

• ChemBase ID: 796623
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: C(C)(N)c1ocnc1
• Canonical SMILES: CC(c1cnco1)N
• InChI: InChI=1S/C5H8N2O/c1-4(6)5-2-7-3-8-5/h2-4H,6H2,1H3
• InChIKey: GOADWLCEMFNDHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-oxazol-5-yl)ethan-1-amine
• IUPAC Traditional name: 1-(1,3-oxazol-5-yl)ethanamine
• Synonyms: 1-(Oxazol-5-yl)ethanaMine

Database IDs

• CAS Number: 751470-40-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0180013
• LogD (pH = 7.4): -1.3241647
• Log P: -0.62251824
• Molar Refractivity: 29.5371 cm^3
• Polarizability: 11.524763 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%