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

C17H11F3N4O2S — CID 19334515

IUPAC3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(OCn2ccc(-c3nc(-c4cccs4)no3)n2)c1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)11-3-1-4-12(9-11)25-10-24-7-6-13(22-24)16-21-15(23-26-16)14-5-2-8-27-14/h1-9H,10H2
InChIKeyURBPABVDJRGLOX-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.72
Rot. Bonds5

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

3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole (PubChem CID 19334515) has the molecular formula C17H11F3N4O2S and a molecular weight of 392.36 g/mol. Its IUPAC name is 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole
PubChem CID19334515
Molecular FormulaC17H11F3N4O2S
Molecular Weight392.36 g/mol
Exact Mass392.06
IUPAC Name3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole
SMILESFC(F)(F)c1cccc(OCn2ccc(-c3nc(-c4cccs4)no3)n2)c1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)11-3-1-4-12(9-11)25-10-24-7-6-13(22-24)16-21-15(23-26-16)14-5-2-8-27-14/h1-9H,10H2
InChIKeyURBPABVDJRGLOX-UHFFFAOYSA-N
XLogP4.72
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole (CID 19334515) is 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole is FC(F)(F)c1cccc(OCn2ccc(-c3nc(-c4cccs4)no3)n2)c1.
What is the InChIKey of 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
The InChIKey is URBPABVDJRGLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2S/c18-17(19,20)11-3-1-4-12(9-11)25-10-24-7-6-13(22-24)16-21-15(23-26-16)14-5-2-8-27-14/h1-9H,10H2.
What are the key properties of 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole?
3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole has a molecular weight of 392.36 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-5-[1-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 19334515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).