1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one

C23H25N5O4S — CID 24610009

About 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one

1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one (PubChem CID 24610009) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
• PubChem CID: 24610009
• Molecular Formula: C23H25N5O4S
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.16
• IUPAC Name: 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
• SMILES: O=C(COc1cccc(N2CCCC2=O)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1
• InChI: InChI=1S/C23H25N5O4S/c29-21-7-2-8-28(21)17-4-1-5-18(14-17)31-16-22(30)27-11-9-26(10-12-27)15-20-24-23(25-32-20)19-6-3-13-33-19/h1,3-6,13-14H,2,7-12,15-16H2
• InChIKey: OYFVOLVCCVDXBG-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 92.01 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one (CID 24610009) is 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one.

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

The canonical SMILES for 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one is O=C(COc1cccc(N2CCCC2=O)c1)N1CCN(Cc2nc(-c3cccs3)no2)CC1.

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

The InChIKey is OYFVOLVCCVDXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c29-21-7-2-8-28(21)17-4-1-5-18(14-17)31-16-22(30)27-11-9-26(10-12-27)15-20-24-23(25-32-20)19-6-3-13-33-19/h1,3-6,13-14H,2,7-12,15-16H2.

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

1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 467.55 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-oxo-2-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 24610009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).