methyl 2-[({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetate

• ChemBase ID: 173957
• Molecular Formular: C22H24N2O4
• Molecular Mass: 380.43696
• Monoisotopic Mass: 380.17360726
• SMILES: c1c(ccc(c1)CNCC(=O)OC)OCCc1nc(oc1C)c1ccccc1
• Canonical SMILES: COC(=O)CNCc1ccc(cc1)OCCc1nc(oc1C)c1ccccc1
• InChI: InChI=1S/C22H24N2O4/c1-16-20(24-22(28-16)18-6-4-3-5-7-18)12-13-27-19-10-8-17(9-11-19)14-23-15-21(25)26-2/h3-11,23H,12-15H2,1-2H3
• InChIKey: SLAOTPLLYBJKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-[({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetate
• IUPAC Traditional name: methyl 2-[({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetate
• Synonyms: N-[[4-[2-(5-Methyl-2-phenyl-4-oxazolyl)ethoxy]phenyl]methyl]glycine Methyl Ester

Database IDs

• CAS Number: 331746-65-7
• PubChem SID: 164229867
• PubChem CID: 11697370

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.721059
• LogD (pH = 7.4): 3.195842
• Log P: 3.2069814
• Molar Refractivity: 116.3734 cm^3
• Polarizability: 41.87567 Å^3
• Polar Surface Area: 73.59 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Ethyl Acetate

DETAILS

Toronto Research Chemicals - M320665

Muraglitazar intermediate.

REFERENCES

• Devasthale, P., et al.: J. Med. Chem., 48, 2248 (2005)