[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine hydrochloride

• ChemBase ID: 144112
• Molecular Formular: C8H9ClN2O2
• Molecular Mass: 200.62226
• Monoisotopic Mass: 200.03525522
• SMILES: c1cc(oc1)c1cc(no1)CN.Cl
• Canonical SMILES: NCc1noc(c1)c1ccco1.Cl
• InChI: InChI=1S/C8H8N2O2.ClH/c9-5-6-4-8(12-10-6)7-2-1-3-11-7;/h1-4H,5,9H2;1H
• InChIKey: GCLDRGQJQVUGHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine hydrochloride
• IUPAC Traditional name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine hydrochloride
• Synonyms: 1-[5-(2-Furyl)-3-isoxazolyl]methanamine hydrochloride

Database IDs

• MDL Number: MFCD16660999
• PubChem SID: 162238329
• PubChem CID: 53398902

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2548869
• LogD (pH = 7.4): -0.56302214
• Log P: 0.17250468
• Molar Refractivity: 42.8558 cm^3
• Polarizability: 17.508446 Å^3
• Polar Surface Area: 65.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C8H9ClN2O2

DETAILS

Sigma Aldrich - CBR00907

Other Notes
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Legal Information
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