4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C17H11N3O2S — CID 11438623

IUPAC4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnc(-c3cc4ccccc4s3)o2)cc1
InChIInChI=1S/C17H11N3O2S/c18-15(21)10-5-7-11(8-6-10)16-19-20-17(22-16)14-9-12-3-1-2-4-13(12)23-14/h1-9H,(H2,18,21)
InChIKeyNGMVTSZZTWOHMA-UHFFFAOYSA-N
MW321.36 g/mol
LogP3.72
Rot. Bonds3

About 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 11438623) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID11438623
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nnc(-c3cc4ccccc4s3)o2)cc1
InChIInChI=1S/C17H11N3O2S/c18-15(21)10-5-7-11(8-6-10)16-19-20-17(22-16)14-9-12-3-1-2-4-13(12)23-14/h1-9H,(H2,18,21)
InChIKeyNGMVTSZZTWOHMA-UHFFFAOYSA-N
XLogP3.72
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 11438623) is 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is NC(=O)c1ccc(-c2nnc(-c3cc4ccccc4s3)o2)cc1.
What is the InChIKey of 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NGMVTSZZTWOHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c18-15(21)10-5-7-11(8-6-10)16-19-20-17(22-16)14-9-12-3-1-2-4-13(12)23-14/h1-9H,(H2,18,21).
What are the key properties of 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 321.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 11438623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).