3-(2-methoxyethyl)-1,2-oxazol-5-amine

• ChemBase ID: 274412
• Molecular Formular: C6H10N2O2
• Molecular Mass: 142.1558
• Monoisotopic Mass: 142.07422757
• SMILES: c1c(onc1CCOC)N
• Canonical SMILES: COCCc1cc(on1)N
• InChI: InChI=1S/C6H10N2O2/c1-9-3-2-5-4-6(7)10-8-5/h4H,2-3,7H2,1H3
• InChIKey: OZBIEWBJDXIVAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyethyl)-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-(2-methoxyethyl)-1,2-oxazol-5-amine
• Synonyms: 3-(2-methoxyethyl)-1,2-oxazol-5-amine

Database IDs

• MDL Number: MFCD11102801
• PubChem SID: 164330322
• PubChem CID: 43139073

CALCULATED PROPERTIES

• Acid pKa: 15.978361
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20801422
• LogD (pH = 7.4): -0.20758781
• Log P: -0.20758237
• Molar Refractivity: 37.198 cm^3
• Polarizability: 13.650683 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.554

Product Information

• Purity: 95%