N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

C23H20ClN3O3 — CID 31746270

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 31746270) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

• Compound Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• PubChem CID: 31746270
• Molecular Formula: C23H20ClN3O3
• Molecular Weight: 421.88 g/mol
• Exact Mass: 421.12
• IUPAC Name: N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
• SMILES: CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1nnc(-c2ccccc2)o1
• InChI: InChI=1S/C23H20ClN3O3/c1-27(15-19-11-12-20(29-19)16-7-9-18(24)10-8-16)22(28)14-13-21-25-26-23(30-21)17-5-3-2-4-6-17/h2-12H,13-15H2,1H3
• InChIKey: KWNAOWVUVFXATA-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.88
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide (CID 31746270) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide.

What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1nnc(-c2ccccc2)o1.

What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

The InChIKey is KWNAOWVUVFXATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-27(15-19-11-12-20(29-19)16-7-9-18(24)10-8-16)22(28)14-13-21-25-26-23(30-21)17-5-3-2-4-6-17/h2-12H,13-15H2,1H3.

What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide?

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 421.88 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 31746270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).