N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide

C26H26N4O3 — CID 139005445

About N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide

N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide (PubChem CID 139005445) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide
• PubChem CID: 139005445
• Molecular Formula: C26H26N4O3
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.20
• IUPAC Name: N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide
• SMILES: COc1cccc(-c2noc(C(C)NC(=O)N3CCCC3c3cccc4ccccc34)n2)c1
• InChI: InChI=1S/C26H26N4O3/c1-17(25-28-24(29-33-25)19-10-5-11-20(16-19)32-2)27-26(31)30-15-7-14-23(30)22-13-6-9-18-8-3-4-12-21(18)22/h3-6,8-13,16-17,23H,7,14-15H2,1-2H3,(H,27,31)
• InChIKey: KGFUSHIFGFYONO-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide?

The IUPAC name of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide (CID 139005445) is N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide.

What is the SMILES notation for N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide?

The canonical SMILES for N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide is COc1cccc(-c2noc(C(C)NC(=O)N3CCCC3c3cccc4ccccc34)n2)c1.

What is the InChIKey of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide?

The InChIKey is KGFUSHIFGFYONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-17(25-28-24(29-33-25)19-10-5-11-20(16-19)32-2)27-26(31)30-15-7-14-23(30)22-13-6-9-18-8-3-4-12-21(18)22/h3-6,8-13,16-17,23H,7,14-15H2,1-2H3,(H,27,31).

What are the key properties of N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide?

N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-naphthalen-1-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 139005445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).