5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid

C13H7F3N2O3 — CID 136986130

IUPAC5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)9-3-1-2-6-7(4-17-10(6)9)11-8(12(19)20)5-18-21-11/h1-5,17H,(H,19,20)
InChIKeyIAIQBQODJUSBIU-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.54
Rot. Bonds2

About 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid

5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid (PubChem CID 136986130) has the molecular formula C13H7F3N2O3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid
PubChem CID136986130
Molecular FormulaC13H7F3N2O3
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC Name5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1c[nH]c2c(C(F)(F)F)cccc12
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)9-3-1-2-6-7(4-17-10(6)9)11-8(12(19)20)5-18-21-11/h1-5,17H,(H,19,20)
InChIKeyIAIQBQODJUSBIU-UHFFFAOYSA-N
XLogP3.54
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-hydroxy-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986177
2-amino-2-[7-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073468
5-(6-bromo-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986221
5-(6-methyl-1H-indol-3-yl)-1,2-oxazole-4-carboxylic acid
CID 136986206
1-[7-(trifluoromethyl)-1H-indol-3-yl]ethanone
CID 82391412
5-(7-fluoro-1H-indol-3-yl)-1,2-oxazol-4-amine
CID 136986148
5-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
3-chloro-7-(trifluoromethyl)-1H-indole-2-carboxylic acid
CID 68745449
2-[7-(trifluoromethyl)-1H-indol-3-yl]quinoline
CID 153485154
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
3-(2-fluoropropan-2-yl)-1H-indole-7-carboxylic acid
CID 84686528
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82301029

Frequently Asked Questions

What is the IUPAC name of 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid (CID 136986130) is 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1c[nH]c2c(C(F)(F)F)cccc12.
What is the InChIKey of 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is IAIQBQODJUSBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O3/c14-13(15,16)9-3-1-2-6-7(4-17-10(6)9)11-8(12(19)20)5-18-21-11/h1-5,17H,(H,19,20).
What are the key properties of 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid?
5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 296.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 136986130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).