3-[2-[[(1S,5S,6R)-5-[4-(Pentylcarbamoyl)-1,3-Oxazol-2-Yl]-7-Oxabicyclo[2.2.1]Heptan-6-Yl]Methyl]Phenyl]Propanoic Acid
[CAS# 143443-90-7]

Identification

• Name: 3-[2-[[(1S,5S,6R)-5-[4-(Pentylcarbamoyl)-1,3-Oxazol-2-Yl]-7-Oxabicyclo[2.2.1]Heptan-6-Yl]Methyl]Phenyl]Propanoic Acid
• Synonyms: 3-[2-[[(1S,5S,6R)-5-[4-(Pentylcarbamoyl)Oxazol-2-Yl]-7-Oxabicyclo[2.2.1]Heptan-6-Yl]Methyl]Phenyl]Propanoic Acid; 3-[2-[[(1S,5S,6R)-5-[4-[Oxo-(Pentylamino)Methyl]-2-Oxazolyl]-7-Oxabicyclo[2.2.1]Heptan-6-Yl]Methyl]Phenyl]Propanoic Acid; 3-[2-[[(1S,5S,6R)-5-[4-(Amylcarbamoyl)Oxazol-2-Yl]-7-Oxabicyclo[2.2.1]Heptan-6-Yl]Methyl]Phenyl]Propionic Acid
• Molecular Formula: C₂₅H₃₂N₂O₅
• Molecular Weight: 440.54
• CAS Registry Number: 143443-90-7
• SMILES: [C@H]1(C3CC[C@@H]([C@@H]1CC2=C(C=CC=C2)CCC(O)=O)O3)C4=NC(=CO4)C(NCCCCC)=O
• InChI: 1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)/t18-,20-,21?,23-/m0/s1
• InChIKey: BBPRUNPUJIUXSE-OSUJBIHNSA-N

Properties

• Density: 1.207g/cm³ (Cal.)
• Boiling point: 663.615°C at 760 mmHg (Cal.)
• Flash point: 355.142°C (Cal.)