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

C14H11N3O3S — CID 4133481

IUPAC4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(20-14)11-3-2-8-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyMLBQCJIJABHDPG-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.06
Rot. Bonds4

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

4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 4133481) has the molecular formula C14H11N3O3S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID4133481
Molecular FormulaC14H11N3O3S
Molecular Weight301.33 g/mol
Exact Mass301.05
IUPAC Name4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(20-14)11-3-2-8-21-11/h2-8H,1H3,(H,15,17,18)
InChIKeyMLBQCJIJABHDPG-UHFFFAOYSA-N
XLogP3.06
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 4133481) is 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is COc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MLBQCJIJABHDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3S/c1-19-10-6-4-9(5-7-10)12(18)15-14-17-16-13(20-14)11-3-2-8-21-11/h2-8H,1H3,(H,15,17,18).
What are the key properties of 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 301.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 4133481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).