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

C14H8F3N3O2S — CID 175248062

IUPACN-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)13-19-11(20-22-13)8-3-5-9(6-4-8)12(21)18-10-2-1-7-23-10/h1-7H,(H,18,21)
InChIKeySIQSJODPXPWDKY-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.07
Rot. Bonds3

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

N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 175248062) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID175248062
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC NameN-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESO=C(Nc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)13-19-11(20-22-13)8-3-5-9(6-4-8)12(21)18-10-2-1-7-23-10/h1-7H,(H,18,21)
InChIKeySIQSJODPXPWDKY-UHFFFAOYSA-N
XLogP4.07
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 175248062) is N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is O=C(Nc1cccs1)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is SIQSJODPXPWDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)13-19-11(20-22-13)8-3-5-9(6-4-8)12(21)18-10-2-1-7-23-10/h1-7H,(H,18,21).
What are the key properties of N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 339.30 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-thiophen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 175248062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).