5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide

C23H13Cl2N3O3S — CID 30334208

About 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide

5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide (PubChem CID 30334208) has the molecular formula C23H13Cl2N3O3S and a molecular weight of 482.35 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
• PubChem CID: 30334208
• Molecular Formula: C23H13Cl2N3O3S
• Molecular Weight: 482.35 g/mol
• Exact Mass: 481.01
• IUPAC Name: 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
• SMILES: O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccc(-c2cc(Cl)ccc2Cl)o1
• InChI: InChI=1S/C23H13Cl2N3O3S/c24-13-7-8-16(25)15(12-13)18-9-10-19(30-18)22(29)26-17-5-2-1-4-14(17)23-27-21(28-31-23)20-6-3-11-32-20/h1-12H,(H,26,29)
• InChIKey: ZUHOSECGXRFUPA-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 81.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.35
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?

The IUPAC name of 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide (CID 30334208) is 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide.

What is the SMILES notation for 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?

The canonical SMILES for 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide is O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccc(-c2cc(Cl)ccc2Cl)o1.

What is the InChIKey of 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?

The InChIKey is ZUHOSECGXRFUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl2N3O3S/c24-13-7-8-16(25)15(12-13)18-9-10-19(30-18)22(29)26-17-5-2-1-4-14(17)23-27-21(28-31-23)20-6-3-11-32-20/h1-12H,(H,26,29).

What are the key properties of 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide?

5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide has a molecular weight of 482.35 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dichlorophenyl)-N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 30334208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).