2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone

C14H5F6N3O2S — CID 87479523

IUPAC2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)s1)C(F)(F)F
InChIInChI=1S/C14H5F6N3O2S/c15-13(16,17)9-4-1-6(5-21-9)11-22-12(25-23-11)8-3-2-7(26-8)10(24)14(18,19)20/h1-5H
InChIKeyITJGLJBTYMWFOK-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.62
Rot. Bonds3

About 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone

2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone (PubChem CID 87479523) has the molecular formula C14H5F6N3O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
PubChem CID87479523
Molecular FormulaC14H5F6N3O2S
Molecular Weight393.27 g/mol
Exact Mass393.00
IUPAC Name2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone
SMILESO=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)s1)C(F)(F)F
InChIInChI=1S/C14H5F6N3O2S/c15-13(16,17)9-4-1-6(5-21-9)11-22-12(25-23-11)8-3-2-7(26-8)10(24)14(18,19)20/h1-5H
InChIKeyITJGLJBTYMWFOK-UHFFFAOYSA-N
XLogP4.62
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone 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

4-[5-(2-Ethylsulfanyl-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 6462894
2-[5-(3-Chloro-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-5-trifluoromethyl-pyridine
CID 9967365
5-[5-(3-Chloro-thiophen-2-yl)-[1,2,4]oxadiazol-3-yl]-2-trifluoromethyl-pyridine
CID 9967366
2,2,2-Trifluoro-1-(5-(3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone
CID 44562766
2,2,2-Trifluoro-1-(5-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone
CID 44562767
2,2,2-Trifluoro-1-(5-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)thiophen-2-yl)ethanone
CID 44562798
3-Pyridin-2-yl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 699629
4-[5-[2-(Methylthio)phenyl]-1,2,4-oxadiazol-3-yl]pyridine
CID 1486780
5-(3,4-Difluorophenyl)-3-(6-methylpyridin-3-yl)-1,2,4-oxadiazole
CID 145989809
3-Pyridin-4-yl-5-thiophen-2-yl-1,2,4-oxadiazole
CID 699625
5-(5-Nitrothiophen-3-yl)-3-(pyridin-2-yl)-1,2,4-oxadiazole
CID 2740103
3-Pyridin-3-yl-5-thiophen-3-yl-1,2,4-oxadiazole
CID 142672379

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone (CID 87479523) is 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone is O=C(c1ccc(-c2nc(-c3ccc(C(F)(F)F)nc3)no2)s1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
The InChIKey is ITJGLJBTYMWFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F6N3O2S/c15-13(16,17)9-4-1-6(5-21-9)11-22-12(25-23-11)8-3-2-7(26-8)10(24)14(18,19)20/h1-5H.
What are the key properties of 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone?
2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone has a molecular weight of 393.27 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[5-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 87479523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).