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

C14H8N4O2S — CID 3314365

IUPAC4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C14H8N4O2S/c15-8-9-3-5-10(6-4-9)12(19)16-14-18-17-13(20-14)11-2-1-7-21-11/h1-7H,(H,16,18,19)
InChIKeyMLOVINPRMLPQGI-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.92
Rot. Bonds3

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

4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3314365) has the molecular formula C14H8N4O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3314365
Molecular FormulaC14H8N4O2S
Molecular Weight296.31 g/mol
Exact Mass296.04
IUPAC Name4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESN#Cc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C14H8N4O2S/c15-8-9-3-5-10(6-4-9)12(19)16-14-18-17-13(20-14)11-2-1-7-21-11/h1-7H,(H,16,18,19)
InChIKeyMLOVINPRMLPQGI-UHFFFAOYSA-N
XLogP2.92
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3314365) is 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is N#Cc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MLOVINPRMLPQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N4O2S/c15-8-9-3-5-10(6-4-9)12(19)16-14-18-17-13(20-14)11-2-1-7-21-11/h1-7H,(H,16,18,19).
What are the key properties of 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 296.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3314365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).