[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanamine

• ChemBase ID: 810935
• Molecular Formular: C11H12N2O2
• Molecular Mass: 204.22518
• Monoisotopic Mass: 204.08987763
• SMILES: NCc1nc(oc1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1occ(n1)CN
• InChI: InChI=1S/C11H12N2O2/c1-14-10-4-2-8(3-5-10)11-13-9(6-12)7-15-11/h2-5,7H,6,12H2,1H3
• InChIKey: ARUADPINZQKRCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanamine
• IUPAC Traditional name: [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methanamine
• Synonyms: C-[2-(4-METHOXY-PHENYL)-OXAZOL-4-YL]-METHYLAMINE

Database IDs

• CAS Number: 885272-87-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4788604
• LogD (pH = 7.4): 0.20835544
• Log P: 0.9894765
• Molar Refractivity: 66.2834 cm^3
• Polarizability: 22.461912 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%