1-(5-methyl-1,3-oxazol-2-yl)ethan-1-amine

• ChemBase ID: 248320
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1c(oc(c1)C)C(N)C
• Canonical SMILES: Cc1cnc(o1)C(N)C
• InChI: InChI=1S/C6H10N2O/c1-4-3-8-6(9-4)5(2)7/h3,5H,7H2,1-2H3
• InChIKey: BCZCRYDWZCGWIP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,3-oxazol-2-yl)ethan-1-amine
• IUPAC Traditional name: 1-(5-methyl-1,3-oxazol-2-yl)ethanamine
• Synonyms: 1-(5-methyl-1,3-oxazol-2-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD09884299
• PubChem SID: 164304230
• PubChem CID: 24255020

CALCULATED PROPERTIES

• Polarizability: 13.28619 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1688063
• LogD (pH = 7.4): -0.52644217
• Log P: -0.11760235
• Molar Refractivity: 34.2114 cm^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.649

Product Information

• Purity: 95%