5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid

C13H7F3N2O3 — CID 136985855

IUPAC5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3cc(C(F)(F)F)ccc23)on1
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)6-1-2-7-8(5-17-9(7)3-6)11-4-10(12(19)20)18-21-11/h1-5,17H,(H,19,20)
InChIKeyVXFGHJQCRXHTJM-UHFFFAOYSA-N
MW296.20 g/mol
LogP3.54
Rot. Bonds2

About 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid

5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid (PubChem CID 136985855) has the molecular formula C13H7F3N2O3 and a molecular weight of 296.20 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
PubChem CID136985855
Molecular FormulaC13H7F3N2O3
Molecular Weight296.20 g/mol
Exact Mass296.04
IUPAC Name5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2c[nH]c3cc(C(F)(F)F)ccc23)on1
InChIInChI=1S/C13H7F3N2O3/c14-13(15,16)6-1-2-7-8(5-17-9(7)3-6)11-4-10(12(19)20)18-21-11/h1-5,17H,(H,19,20)
InChIKeyVXFGHJQCRXHTJM-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-(5-hydroxy-1H-indol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 136985897
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
2-amino-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 115073427
5-[2-(trifluoromethyl)-1H-indol-4-yl]-1,2-oxazole-3-carboxylic acid
CID 117477202
5-[6-(trifluoromethyl)-1H-indol-3-yl]-3H-1,3,4-oxadiazol-2-one
CID 162536103
5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111243
5-(5-fluoro-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117367183
methyl 2-oxo-2-[6-(trifluoromethyl)-1H-indol-3-yl]acetate
CID 11818094
5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid
CID 82384701
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 93189808
5-(3-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 82387136

Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid (CID 136985855) is 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2c[nH]c3cc(C(F)(F)F)ccc23)on1.
What is the InChIKey of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is VXFGHJQCRXHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O3/c14-13(15,16)6-1-2-7-8(5-17-9(7)3-6)11-4-10(12(19)20)18-21-11/h1-5,17H,(H,19,20).
What are the key properties of 5-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid?
5-[6-(trifluoromethyl)-1H-indol-3-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-[6-(trifluoromethyl)-1H-indol-3-yl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 136985855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).