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

C16H12F3N3O2S — CID 138489878

IUPACN-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-21-13(22-24-15)10-3-5-11(6-4-10)14(23)20-8-7-12-2-1-9-25-12/h1-6,9H,7-8H2,(H,20,23)
InChIKeyJNOADDRGHHJCJE-UHFFFAOYSA-N
MW367.35 g/mol
LogP3.79
Rot. Bonds5

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

N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 138489878) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID138489878
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC NameN-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(NCCc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)15-21-13(22-24-15)10-3-5-11(6-4-10)14(23)20-8-7-12-2-1-9-25-12/h1-6,9H,7-8H2,(H,20,23)
InChIKeyJNOADDRGHHJCJE-UHFFFAOYSA-N
XLogP3.79
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 138489878) is N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 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)cc1.
What is the InChIKey of N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is JNOADDRGHHJCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)15-21-13(22-24-15)10-3-5-11(6-4-10)14(23)20-8-7-12-2-1-9-25-12/h1-6,9H,7-8H2,(H,20,23).
What are the key properties of N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 367.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiophen-2-ylethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 138489878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).