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

C14H8F3N3O2S — CID 2104451

IUPACN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-1-3-8(7-9)11(21)18-13-20-19-12(22-13)10-5-2-6-23-10/h1-7H,(H,18,20,21)
InChIKeyOTICARRAKZKIBS-UHFFFAOYSA-N
MW339.30 g/mol
LogP4.07
Rot. Bonds3

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

N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 2104451) has the molecular formula C14H8F3N3O2S and a molecular weight of 339.30 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID2104451
Molecular FormulaC14H8F3N3O2S
Molecular Weight339.30 g/mol
Exact Mass339.03
IUPAC NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-1-3-8(7-9)11(21)18-13-20-19-12(22-13)10-5-2-6-23-10/h1-7H,(H,18,20,21)
InChIKeyOTICARRAKZKIBS-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-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 2104451) is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is OTICARRAKZKIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S/c15-14(16,17)9-4-1-3-8(7-9)11(21)18-13-20-19-12(22-13)10-5-2-6-23-10/h1-7H,(H,18,20,21).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)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-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 2104451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).