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

C11H12N4O2S — CID 27103276

IUPAC4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccsc3)no2)CCN1
InChIInChI=1S/C11H12N4O2S/c16-9-5-15(3-2-12-9)6-10-13-11(14-17-10)8-1-4-18-7-8/h1,4,7H,2-3,5-6H2,(H,12,16)
InChIKeyPMBGTRVEKIZOOM-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.73
Rot. Bonds3

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

4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (PubChem CID 27103276) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
PubChem CID27103276
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one
SMILESO=C1CN(Cc2nc(-c3ccsc3)no2)CCN1
InChIInChI=1S/C11H12N4O2S/c16-9-5-15(3-2-12-9)6-10-13-11(14-17-10)8-1-4-18-7-8/h1,4,7H,2-3,5-6H2,(H,12,16)
InChIKeyPMBGTRVEKIZOOM-UHFFFAOYSA-N
XLogP0.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one (CID 27103276) is 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is O=C1CN(Cc2nc(-c3ccsc3)no2)CCN1.
What is the InChIKey of 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
The InChIKey is PMBGTRVEKIZOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c16-9-5-15(3-2-12-9)6-10-13-11(14-17-10)8-1-4-18-7-8/h1,4,7H,2-3,5-6H2,(H,12,16).
What are the key properties of 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one?
4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one has a molecular weight of 264.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-2-one is sourced from PubChem (CID 27103276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).