5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

C19H14ClN3O5 — CID 22620279

About 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 22620279) has the molecular formula C19H14ClN3O5 and a molecular weight of 399.79 g/mol. Its IUPAC name is 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
• PubChem CID: 22620279
• Molecular Formula: C19H14ClN3O5
• Molecular Weight: 399.79 g/mol
• Exact Mass: 399.06
• IUPAC Name: 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
• SMILES: COc1nn(-c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)c(C)c2)c(=O)o1
• InChI: InChI=1S/C19H14ClN3O5/c1-10-7-13(23-19(25)28-18(22-23)26-2)4-5-14(10)21-17(24)16-9-11-8-12(20)3-6-15(11)27-16/h3-9H,1-2H3,(H,21,24)
• InChIKey: KXEAEOABAIYKJO-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 99.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.79
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 22620279) is 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is COc1nn(-c2ccc(NC(=O)c3cc4cc(Cl)ccc4o3)c(C)c2)c(=O)o1.

What is the InChIKey of 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

The InChIKey is KXEAEOABAIYKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O5/c1-10-7-13(23-19(25)28-18(22-23)26-2)4-5-14(10)21-17(24)16-9-11-8-12(20)3-6-15(11)27-16/h3-9H,1-2H3,(H,21,24).

What are the key properties of 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?

5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 399.79 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22620279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).