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

C14H9F3N2O3 — CID 115108350

IUPAC3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)on2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H9F3N2O3/c1-19-6-8(10-5-11(13(20)21)22-18-10)7-3-2-4-9(12(7)19)14(15,16)17/h2-6H,1H3,(H,20,21)
InChIKeyISZLJTGYTBSCLZ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.55
Rot. Bonds2

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

3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid (PubChem CID 115108350) has the molecular formula C14H9F3N2O3 and a molecular weight of 310.23 g/mol. Its IUPAC name is 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid
PubChem CID115108350
Molecular FormulaC14H9F3N2O3
Molecular Weight310.23 g/mol
Exact Mass310.06
IUPAC Name3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid
SMILESCn1cc(-c2cc(C(=O)O)on2)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C14H9F3N2O3/c1-19-6-8(10-5-11(13(20)21)22-18-10)7-3-2-4-9(12(7)19)14(15,16)17/h2-6H,1H3,(H,20,21)
InChIKeyISZLJTGYTBSCLZ-UHFFFAOYSA-N
XLogP3.55
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid (CID 115108350) is 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid is Cn1cc(-c2cc(C(=O)O)on2)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is ISZLJTGYTBSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O3/c1-19-6-8(10-5-11(13(20)21)22-18-10)7-3-2-4-9(12(7)19)14(15,16)17/h2-6H,1H3,(H,20,21).
What are the key properties of 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid?
3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 310.23 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-7-(trifluoromethyl)indol-3-yl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 115108350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).