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

C13H7F3N2O3 — CID 117477202

IUPAC5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3[nH]c(C(F)(F)F)cc23)on1
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)11-4-7-6(2-1-3-8(7)17-11)10-5-9(12(19)20)18-21-10/h1-5,17H,(H,19,20)
InChIKeyHDBJDVJEWRTUFS-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.54
Rot. Bonds2

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

5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117477202) has the molecular formula C13H7F3N2O3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid
PubChem CID117477202
Molecular FormulaC13H7F3N2O3
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC Name5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3[nH]c(C(F)(F)F)cc23)on1
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)11-4-7-6(2-1-3-8(7)17-11)10-5-9(12(19)20)18-21-10/h1-5,17H,(H,19,20)
InChIKeyHDBJDVJEWRTUFS-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-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
CID 136985855
5-(1-benzofuran-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117329819
5-[3-chloro-2-(1,1-difluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117464297
2-(trifluoromethyl)-1H-indol-4-ol
CID 67244990
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 136985897
5-(3-methyl-1,2-benzoxazol-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117361908
1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
CID 117449657
5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117443279
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117341655
5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117367183

Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid (CID 117477202) is 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cccc3[nH]c(C(F)(F)F)cc23)on1.
What is the InChIKey of 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is HDBJDVJEWRTUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O3/c14-13(15,16)11-4-7-6(2-1-3-8(7)17-11)10-5-9(12(19)20)18-21-10/h1-5,17H,(H,19,20).
What are the key properties of 5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid?
5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-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-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117477202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).