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

C24H21F3N2O4 — CID 11155355

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

2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid (PubChem CID 11155355) has the molecular formula C24H21F3N2O4 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
• PubChem CID: 11155355
• Molecular Formula: C24H21F3N2O4
• Molecular Weight: 458.44 g/mol
• Exact Mass: 458.15
• IUPAC Name: 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
• SMILES: CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2c(ccn2CC(=O)O)c1
• InChI: InChI=1S/C24H21F3N2O4/c1-2-21-19(28-23(33-21)15-3-5-17(6-4-15)24(25,26)27)10-12-32-18-7-8-20-16(13-18)9-11-29(20)14-22(30)31/h3-9,11,13H,2,10,12,14H2,1H3,(H,30,31)
• InChIKey: RLLXIBGCZCEUJC-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.44
LogP ≤ 5	5.58
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]acetic acid?

The IUPAC name of 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid (CID 11155355) is 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic 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]acetic acid?

The canonical SMILES for 2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid is CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCOc1ccc2c(ccn2CC(=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]acetic acid?

The InChIKey is RLLXIBGCZCEUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4/c1-2-21-19(28-23(33-21)15-3-5-17(6-4-15)24(25,26)27)10-12-32-18-7-8-20-16(13-18)9-11-29(20)14-22(30)31/h3-9,11,13H,2,10,12,14H2,1H3,(H,30,31).

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

2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid has a molecular weight of 458.44 g/mol, XLogP of 5.58, 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]acetic acid is sourced from PubChem (CID 11155355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).