2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid

C26H25F3N2O4 — CID 11213909

About 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid

2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid (PubChem CID 11213909) has the molecular formula C26H25F3N2O4 and a molecular weight of 486.49 g/mol. Its IUPAC name is 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid
• PubChem CID: 11213909
• Molecular Formula: C26H25F3N2O4
• Molecular Weight: 486.49 g/mol
• Exact Mass: 486.18
• IUPAC Name: 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid
• SMILES: CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2c(ccn2C(C)(C)C(=O)O)c1
• InChI: InChI=1S/C26H25F3N2O4/c1-4-22-20(30-23(35-22)16-5-7-18(8-6-16)26(27,28)29)12-14-34-19-9-10-21-17(15-19)11-13-31(21)25(2,3)24(32)33/h5-11,13,15H,4,12,14H2,1-3H3,(H,32,33)
• InChIKey: FBLKTEDAAZUORZ-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.49
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid?

The IUPAC name of 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid (CID 11213909) is 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid.

What is the SMILES notation for 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid?

The canonical SMILES for 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid is CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2c(ccn2C(C)(C)C(=O)O)c1.

What is the InChIKey of 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid?

The InChIKey is FBLKTEDAAZUORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O4/c1-4-22-20(30-23(35-22)16-5-7-18(8-6-16)26(27,28)29)12-14-34-19-9-10-21-17(15-19)11-13-31(21)25(2,3)24(32)33/h5-11,13,15H,4,12,14H2,1-3H3,(H,32,33).

What are the key properties of 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid?

2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid has a molecular weight of 486.49 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 11213909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).