5-(4-methoxyphenyl)-1,3-oxazol-2-amine

• ChemBase ID: 815723
• Molecular Formular: C10H10N2O2
• Molecular Mass: 190.1986
• Monoisotopic Mass: 190.07422757
• SMILES: o1c(ncc1c1ccc(cc1)OC)N
• Canonical SMILES: COc1ccc(cc1)c1cnc(o1)N
• InChI: InChI=1S/C10H10N2O2/c1-13-8-4-2-7(3-5-8)9-6-12-10(11)14-9/h2-6H,1H3,(H2,11,12)
• InChIKey: VQHNQBUVJHKDOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-1,3-oxazol-2-amine
• IUPAC Traditional name: 5-(4-methoxyphenyl)-1,3-oxazol-2-amine
• Synonyms: 5-(4-methoxyphenyl)oxazol-2-amine

Database IDs

• CAS Number: 6825-91-8

CALCULATED PROPERTIES

• Acid pKa: 14.635042
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1791602
• LogD (pH = 7.4): 1.1800057
• Log P: 1.1800165
• Molar Refractivity: 52.418 cm^3
• Polarizability: 20.90792 Å^3
• Polar Surface Area: 61.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%