2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C16H11F4N3O2S — CID 138489791

IUPAC2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C16H11F4N3O2S/c17-12-8-9(13-22-15(25-23-13)16(18,19)20)3-4-11(12)14(24)21-6-5-10-2-1-7-26-10/h1-4,7-8H,5-6H2,(H,21,24)
InChIKeyZSQAHMDXJUXASG-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.93
Rot. Bonds5

About 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138489791) has the molecular formula C16H11F4N3O2S and a molecular weight of 385.34 g/mol. Its IUPAC name is 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138489791
Molecular FormulaC16H11F4N3O2S
Molecular Weight385.34 g/mol
Exact Mass385.05
IUPAC Name2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F
InChIInChI=1S/C16H11F4N3O2S/c17-12-8-9(13-22-15(25-23-13)16(18,19)20)3-4-11(12)14(24)21-6-5-10-2-1-7-26-10/h1-4,7-8H,5-6H2,(H,21,24)
InChIKeyZSQAHMDXJUXASG-UHFFFAOYSA-N
XLogP3.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138489791) is 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(NCCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1F.
What is the InChIKey of 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is ZSQAHMDXJUXASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4N3O2S/c17-12-8-9(13-22-15(25-23-13)16(18,19)20)3-4-11(12)14(24)21-6-5-10-2-1-7-26-10/h1-4,7-8H,5-6H2,(H,21,24).
What are the key properties of 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 385.34 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138489791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).