ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

C13H11F3N4O3 — CID 142598078

IUPACethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C11H5F3N4O3.C2H6/c12-11(13,14)10-16-8(17-21-10)5-1-2-7-15-6(9(19)20)4-18(7)3-5;1-2/h1-4H,(H,19,20);1-2H3
InChIKeyVELLFHXJBWZPCQ-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.13
Rot. Bonds2

About ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid

ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 142598078) has the molecular formula C13H11F3N4O3 and a molecular weight of 328.25 g/mol. Its IUPAC name is ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID142598078
Molecular FormulaC13H11F3N4O3
Molecular Weight328.25 g/mol
Exact Mass328.08
IUPAC Nameethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1
InChIInChI=1S/C11H5F3N4O3.C2H6/c12-11(13,14)10-16-8(17-21-10)5-1-2-7-15-6(9(19)20)4-18(7)3-5;1-2/h1-4H,(H,19,20);1-2H3
InChIKeyVELLFHXJBWZPCQ-UHFFFAOYSA-N
XLogP3.13
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic 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

N-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methyl]propanamide
CID 155193306
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532721
N-[dimethyl(oxo)-λ6-sulfanylidene]-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532704
N-(2-methoxyethyl)-7-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 162532709
(4-methoxyphenyl)methyl-methyl-oxo-[[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]methylimino]-λ6-sulfane
CID 164518409
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 137371847
N-[(2-methoxyphenyl)-methyl-oxo-λ6-sulfanylidene]-2-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 162532654
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
pyrrolidin-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 71230722
3-[2-[(3-fluorophenyl)sulfanylmethyl]imidazo[1,2-a]pyridin-6-yl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 155708418
azepan-1-yl-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 86777416

Frequently Asked Questions

What is the IUPAC name of ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid (CID 142598078) is ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is CC.O=C(O)c1cn2cc(-c3noc(C(F)(F)F)n3)ccc2n1.
What is the InChIKey of ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is VELLFHXJBWZPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N4O3.C2H6/c12-11(13,14)10-16-8(17-21-10)5-1-2-7-15-6(9(19)20)4-18(7)3-5;1-2/h1-4H,(H,19,20);1-2H3.
What are the key properties of ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid?
ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 328.25 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 142598078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).