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

C11H11N3O2S — CID 28697096

IUPAC1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H11N3O2S/c15-10-2-1-4-14(10)6-9-12-11(13-16-9)8-3-5-17-7-8/h3,5,7H,1-2,4,6H2
InChIKeyKEAQLOFTPLNDOA-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.92
Rot. Bonds3

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

1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one (PubChem CID 28697096) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
PubChem CID28697096
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC Name1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one
SMILESO=C1CCCN1Cc1nc(-c2ccsc2)no1
InChIInChI=1S/C11H11N3O2S/c15-10-2-1-4-14(10)6-9-12-11(13-16-9)8-3-5-17-7-8/h3,5,7H,1-2,4,6H2
InChIKeyKEAQLOFTPLNDOA-UHFFFAOYSA-N
XLogP1.92
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one (CID 28697096) is 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one is O=C1CCCN1Cc1nc(-c2ccsc2)no1.
What is the InChIKey of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
The InChIKey is KEAQLOFTPLNDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c15-10-2-1-4-14(10)6-9-12-11(13-16-9)8-3-5-17-7-8/h3,5,7H,1-2,4,6H2.
What are the key properties of 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one?
1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 28697096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).