4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide

C25H28N4O4 — CID 52815756

About 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 52815756) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

• Compound Name: 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide
• PubChem CID: 52815756
• Molecular Formula: C25H28N4O4
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide
• SMILES: COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(=O)N4CCCC4)c3C)n2)cc1
• InChI: InChI=1S/C25H28N4O4/c1-17-20(25(31)29-15-3-4-16-29)7-5-8-21(17)26-22(30)9-6-10-23-27-24(28-33-23)18-11-13-19(32-2)14-12-18/h5,7-8,11-14H,3-4,6,9-10,15-16H2,1-2H3,(H,26,30)
• InChIKey: DWDMACYWIZYDMK-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide?

The IUPAC name of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 52815756) is 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide.

What is the SMILES notation for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide?

The canonical SMILES for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide is COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(=O)N4CCCC4)c3C)n2)cc1.

What is the InChIKey of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide?

The InChIKey is DWDMACYWIZYDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-17-20(25(31)29-15-3-4-16-29)7-5-8-21(17)26-22(30)9-6-10-23-27-24(28-33-23)18-11-13-19(32-2)14-12-18/h5,7-8,11-14H,3-4,6,9-10,15-16H2,1-2H3,(H,26,30).

What are the key properties of 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide?

4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 448.52 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 52815756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).