[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

C20H19N3O4S — CID 7735924

About [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (PubChem CID 7735924) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

Molecular Properties

• Compound Name: [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
• PubChem CID: 7735924
• Molecular Formula: C20H19N3O4S
• Molecular Weight: 397.46 g/mol
• Exact Mass: 397.11
• IUPAC Name: [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
• SMILES: C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)c1nnc(-c2cccs2)o1
• InChI: InChI=1S/C20H19N3O4S/c1-13(18-21-22-19(27-18)16-4-3-11-28-16)26-20(25)15-8-6-14(7-9-15)12-23-10-2-5-17(23)24/h3-4,6-9,11,13H,2,5,10,12H2,1H3/t13-/m0/s1
• InChIKey: IGIYLQSLOFDFHV-ZDUSSCGKSA-N
• XLogP: 3.84
• TPSA: 85.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.46
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?

The IUPAC name of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate (CID 7735924) is [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate.

What is the SMILES notation for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?

The canonical SMILES for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is C[C@H](OC(=O)c1ccc(CN2CCCC2=O)cc1)c1nnc(-c2cccs2)o1.

What is the InChIKey of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?

The InChIKey is IGIYLQSLOFDFHV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13(18-21-22-19(27-18)16-4-3-11-28-16)26-20(25)15-8-6-14(7-9-15)12-23-10-2-5-17(23)24/h3-4,6-9,11,13H,2,5,10,12H2,1H3/t13-/m0/s1.

What are the key properties of [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate?

[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate has a molecular weight of 397.46 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate is sourced from PubChem (CID 7735924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).