1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

C23H26N6O3S — CID 55682803

About 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one

1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (PubChem CID 55682803) has the molecular formula C23H26N6O3S and a molecular weight of 466.57 g/mol. Its IUPAC name is 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
• PubChem CID: 55682803
• Molecular Formula: C23H26N6O3S
• Molecular Weight: 466.57 g/mol
• Exact Mass: 466.18
• IUPAC Name: 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one
• SMILES: CC(c1nc(-c2ccccc2)no1)N1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1
• InChI: InChI=1S/C23H26N6O3S/c1-16(22-25-21(26-32-22)17-6-3-2-4-7-17)27-10-12-28(13-11-27)20(31)14-18-15-33-23(24-18)29-9-5-8-19(29)30/h2-4,6-7,15-16H,5,8-14H2,1H3
• InChIKey: SLMNUSUQRCSNMV-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 95.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.57
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?

The IUPAC name of 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one (CID 55682803) is 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is CC(c1nc(-c2ccccc2)no1)N1CCN(C(=O)Cc2csc(N3CCCC3=O)n2)CC1.

What is the InChIKey of 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?

The InChIKey is SLMNUSUQRCSNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S/c1-16(22-25-21(26-32-22)17-6-3-2-4-7-17)27-10-12-28(13-11-27)20(31)14-18-15-33-23(24-18)29-9-5-8-19(29)30/h2-4,6-7,15-16H,5,8-14H2,1H3.

What are the key properties of 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one?

1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one has a molecular weight of 466.57 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[2-oxo-2-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]-1,3-thiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 55682803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).