N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide

C21H18ClN3O3 — CID 8698129

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 8698129) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
• PubChem CID: 8698129
• Molecular Formula: C21H18ClN3O3
• Molecular Weight: 395.85 g/mol
• Exact Mass: 395.10
• IUPAC Name: N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
• SMILES: CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2ccccc2o1
• InChI: InChI=1S/C21H18ClN3O3/c1-13(2)25(21(26)18-11-14-7-3-6-10-17(14)27-18)12-19-23-24-20(28-19)15-8-4-5-9-16(15)22/h3-11,13H,12H2,1-2H3
• InChIKey: NESJJCYLXLPGMM-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	395.85
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?

The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 8698129) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2ccccc2o1.

What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?

The InChIKey is NESJJCYLXLPGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13(2)25(21(26)18-11-14-7-3-6-10-17(14)27-18)12-19-23-24-20(28-19)15-8-4-5-9-16(15)22/h3-11,13H,12H2,1-2H3.

What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide?

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 5.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 8698129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).