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

C24H21F3N2O4 — CID 11419744

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

2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid (PubChem CID 11419744) has the molecular formula C24H21F3N2O4 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid
• PubChem CID: 11419744
• Molecular Formula: C24H21F3N2O4
• Molecular Weight: 458.44 g/mol
• Exact Mass: 458.15
• IUPAC Name: 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid
• SMILES: Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(C)COc1ccc2c(ccn2CC(=O)O)c1
• InChI: InChI=1S/C24H21F3N2O4/c1-14(13-32-19-7-8-20-17(11-19)9-10-29(20)12-21(30)31)22-15(2)33-23(28-22)16-3-5-18(6-4-16)24(25,26)27/h3-11,14H,12-13H2,1-2H3,(H,30,31)
• InChIKey: ODESNQHTQIBXAX-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.44
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid (CID 11419744) is 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid.

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

The canonical SMILES for 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C(C)COc1ccc2c(ccn2CC(=O)O)c1.

What is the InChIKey of 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid?

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

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

2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid has a molecular weight of 458.44 g/mol, XLogP of 5.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11419744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).