3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole

C10H5F3N4OS — CID 19332878

IUPAC3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3cccs3)no2)n[nH]1
InChIInChI=1S/C10H5F3N4OS/c11-10(12,13)7-4-5(15-16-7)9-14-8(17-18-9)6-2-1-3-19-6/h1-4H,(H,15,16)
InChIKeyHICNVZLGEUDSEN-UHFFFAOYSA-N
MW286.24 g/mol
LogP3.21
Rot. Bonds2

About 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole

3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole (PubChem CID 19332878) has the molecular formula C10H5F3N4OS and a molecular weight of 286.24 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
PubChem CID19332878
Molecular FormulaC10H5F3N4OS
Molecular Weight286.24 g/mol
Exact Mass286.01
IUPAC Name3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cc(-c2nc(-c3cccs3)no2)n[nH]1
InChIInChI=1S/C10H5F3N4OS/c11-10(12,13)7-4-5(15-16-7)9-14-8(17-18-9)6-2-1-3-19-6/h1-4H,(H,15,16)
InChIKeyHICNVZLGEUDSEN-UHFFFAOYSA-N
XLogP3.21
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
5-(5-pyrrolidin-3-yl-1H-pyrazol-3-yl)-3-thiophen-2-yl-1,2,4-oxadiazole;hydrochloride
CID 120835622
5-(5-thiophen-2-yl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 3590717
2,2,2-trifluoro-1-[5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]ethanone
CID 44562606
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334507
[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069244
4-thiophen-2-yl-6-(trifluoromethyl)-1H-pyrimidine-2-thione
CID 3274264
5-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334548
5-(4-nitro-1H-pyrazol-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19332769
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136967849

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole (CID 19332878) is 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole is FC(F)(F)c1cc(-c2nc(-c3cccs3)no2)n[nH]1.
What is the InChIKey of 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is HICNVZLGEUDSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N4OS/c11-10(12,13)7-4-5(15-16-7)9-14-8(17-18-9)6-2-1-3-19-6/h1-4H,(H,15,16).
What are the key properties of 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole?
3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 286.24 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19332878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).