3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

C24H24N6O3 — CID 46691974

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (PubChem CID 46691974) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
• PubChem CID: 46691974
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
• SMILES: COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4nc3N3CCCC3)n2)cc1
• InChI: InChI=1S/C24H24N6O3/c1-32-17-10-8-16(9-11-17)22-28-21(33-29-22)13-12-20(31)27-23-24(30-14-4-5-15-30)26-19-7-3-2-6-18(19)25-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,27,31)
• InChIKey: PNMNESFASDWJLQ-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 106.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?

The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide (CID 46691974) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide.

What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?

The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4nc3N3CCCC3)n2)cc1.

What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?

The InChIKey is PNMNESFASDWJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-32-17-10-8-16(9-11-17)22-28-21(33-29-22)13-12-20(31)27-23-24(30-14-4-5-15-30)26-19-7-3-2-6-18(19)25-23/h2-3,6-11H,4-5,12-15H2,1H3,(H,25,27,31).

What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide?

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide has a molecular weight of 444.50 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide is sourced from PubChem (CID 46691974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).