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

• ChemBase ID: 230812
• Molecular Formular: C17H16N2O3
• Molecular Mass: 296.32054
• Monoisotopic Mass: 296.11609238
• SMILES: c1(c(oc(n1)N)c1ccc(cc1)OC)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1oc(nc1c1ccc(cc1)OC)N
• InChI: InChI=1S/C17H16N2O3/c1-20-13-7-3-11(4-8-13)15-16(22-17(18)19-15)12-5-9-14(21-2)10-6-12/h3-10H,1-2H3,(H2,18,19)
• InChIKey: UYQBTVPFWBONES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(4-methoxyphenyl)-1,3-oxazol-2-amine
• IUPAC Traditional name: bis(4-methoxyphenyl)-1,3-oxazol-2-amine
• Synonyms: 4,5-Bis-(4-methoxy-phenyl)-oxazol-2-ylamine

Database IDs

• CAS Number: 77151-48-5
• MDL Number: MFCD03950717
• PubChem SID: 164286722
• PubChem CID: 2396281

CALCULATED PROPERTIES

• Acid pKa: 14.557953
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0553195
• LogD (pH = 7.4): 3.0554197
• Log P: 3.0554209
• Molar Refractivity: 83.6454 cm^3
• Polarizability: 34.40909 Å^3
• Polar Surface Area: 70.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 83 - 85°C
• Hydrophobicity(logP): 3.128

Product Information

• Purity: 95%