5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

C17H12BrN3O4S — CID 40957100

About 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide

5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (PubChem CID 40957100) has the molecular formula C17H12BrN3O4S and a molecular weight of 434.27 g/mol. Its IUPAC name is 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 40957100
• Molecular Formula: C17H12BrN3O4S
• Molecular Weight: 434.27 g/mol
• Exact Mass: 432.97
• IUPAC Name: 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
• SMILES: CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(Br)s4)o3)oc12
• InChI: InChI=1S/C17H12BrN3O4S/c1-2-23-10-5-3-4-9-8-11(24-14(9)10)16-20-21-17(25-16)19-15(22)12-6-7-13(18)26-12/h3-8H,2H2,1H3,(H,19,21,22)
• InChIKey: KXYHRKHEDPIHGN-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.27
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide (CID 40957100) is 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is CCOc1cccc2cc(-c3nnc(NC(=O)c4ccc(Br)s4)o3)oc12.

What is the InChIKey of 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?

The InChIKey is KXYHRKHEDPIHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O4S/c1-2-23-10-5-3-4-9-8-11(24-14(9)10)16-20-21-17(25-16)19-15(22)12-6-7-13(18)26-12/h3-8H,2H2,1H3,(H,19,21,22).

What are the key properties of 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide?

5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 434.27 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 40957100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).