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

C23H19F3N2O4 — CID 11270717

IUPAC2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid
SMILESCCc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C23H19F3N2O4/c1-2-18-20(32-22(27-18)14-3-5-16(6-4-14)23(24,25)26)13-31-17-7-8-19-15(11-17)9-10-28(19)12-21(29)30/h3-11H,2,12-13H2,1H3,(H,29,30)
InChIKeyPPXKTKCEJAYWRY-UHFFFAOYSA-N
MW444.41 g/mol
LogP5.54
Rot. Bonds7

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

2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid (PubChem CID 11270717) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid
PubChem CID11270717
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid
SMILESCCc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc2c(ccn2CC(=O)O)c1
InChIInChI=1S/C23H19F3N2O4/c1-2-18-20(32-22(27-18)14-3-5-16(6-4-14)23(24,25)26)13-31-17-7-8-19-15(11-17)9-10-28(19)12-21(29)30/h3-11H,2,12-13H2,1H3,(H,29,30)
InChIKeyPPXKTKCEJAYWRY-UHFFFAOYSA-N
XLogP5.54
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]acetic acid
CID 11155355
2-[5-[2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]propoxy]indol-1-yl]acetic acid
CID 11419744
2-[5-[2-[5-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethoxy]indol-1-yl]-2-methylpropanoic acid
CID 11213909
2-methyl-2-[5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]indol-1-yl]propanoic acid
CID 11442504
2-[5-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]indol-1-yl]acetic acid
CID 22250824
2-[5-[(2S)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid
CID 58677208
2-[5-[(2R)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propoxy]indol-1-yl]acetic acid
CID 58677180
2-[5-[[4-[(3S)-hexa-1,5-dien-3-yl]-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]indol-1-yl]acetic acid
CID 162580170
2-[5-[2-[3-methyl-5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]propoxy]indol-1-yl]acetic acid
CID 10434993
3-[5-[[2-(4-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]indol-1-yl]propanoic acid
CID 11487863
2-[5-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]indol-1-yl]acetic acid
CID 11374583
1-[3-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]phenyl]propan-1-one
CID 10572402

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid?
The IUPAC name of 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid (CID 11270717) is 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid?
The canonical SMILES for 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid is CCc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc2c(ccn2CC(=O)O)c1.
What is the InChIKey of 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid?
The InChIKey is PPXKTKCEJAYWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c1-2-18-20(32-22(27-18)14-3-5-16(6-4-14)23(24,25)26)13-31-17-7-8-19-15(11-17)9-10-28(19)12-21(29)30/h3-11H,2,12-13H2,1H3,(H,29,30).
What are the key properties of 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid?
2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid has a molecular weight of 444.41 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-ethyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]methoxy]indol-1-yl]acetic acid is sourced from PubChem (CID 11270717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).