[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methanamine

• ChemBase ID: 90843
• Molecular Formular: C9H10N2O2
• Molecular Mass: 178.1879
• Monoisotopic Mass: 178.07422757
• SMILES: o1cc(c2nc(c(o2)C)CN)cc1
• Canonical SMILES: NCc1nc(oc1C)c1cocc1
• InChI: InChI=1S/C9H10N2O2/c1-6-8(4-10)11-9(13-6)7-2-3-12-5-7/h2-3,5H,4,10H2,1H3
• InChIKey: QNOZACQHDSTEKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methanamine
• IUPAC Traditional name: [2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methanamine
• Synonyms: 4-Aminomethyl-5-methyl-2-(furan-3-yl)-1,3-oxazole; 1-[2-(3-Furyl)-5-methyl-1,3-oxazol-4-yl]methylamine 95%

Database IDs

• MDL Number: MFCD08056292
• PubChem SID: 162077552
• PubChem CID: 26967215

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.985623
• LogD (pH = 7.4): -0.29903337
• Log P: 0.48695463
• Molar Refractivity: 57.4833 cm^3
• Polarizability: 18.594532 Å^3
• Polar Surface Area: 65.19 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true