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

• ChemBase ID: 37937
• Molecular Formular: C8H8N2O2
• Molecular Mass: 164.16132
• Monoisotopic Mass: 164.05857751
• SMILES: c1(cc(no1)CN)c1occc1
• Canonical SMILES: NCc1noc(c1)c1ccco1
• InChI: InChI=1S/C8H8N2O2/c9-5-6-4-8(12-10-6)7-2-1-3-11-7/h1-4H,5,9H2
• InChIKey: IKOFHZGPFRNEQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
• IUPAC Traditional name: [5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
• Synonyms: {[5-(2-Furyl)isoxazol-3-yl]methyl}amine; [5-(2-Furyl)isoxazol-3-yl]methylamine; 3-(Aminomethyl)-5-fur-2-ylisoxazole 97%; 1-[5-(2-furyl)-3-isoxazolyl]methanamine; [5-(2-furyl)isoxazol-3-yl]methylamine

Database IDs

• CAS Number: 850375-13-2
• MDL Number: MFCD07368533
• PubChem SID: 161001244
• PubChem CID: 7060533

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

Physical Property

• Melting Point: 47.3-48.5°C

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%