3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione

C12H18N4O3 — CID 106409492

IUPAC3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CCc2ncno2)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-8-12(18)16(9(4-2)11(17)15-8)6-5-10-13-7-14-19-10/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyJXYBDXCTBFDBQE-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.13
Rot. Bonds5

About 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione

3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (PubChem CID 106409492) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
PubChem CID106409492
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(CC)N(CCc2ncno2)C1=O
InChIInChI=1S/C12H18N4O3/c1-3-8-12(18)16(9(4-2)11(17)15-8)6-5-10-13-7-14-19-10/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyJXYBDXCTBFDBQE-UHFFFAOYSA-N
XLogP0.13
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409497
3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409620
6-ethyl-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 106409675
1-(3,3-dimethylbutyl)-3,6-diethylpiperazine-2,5-dione
CID 64901256
1-but-3-ynyl-3,6-diethylpiperazine-2,5-dione
CID 64972522
3-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]-6-propylpiperazine-2,5-dione
CID 114532473
1-(2-cyclohexylethyl)-3,6-diethylpiperazine-2,5-dione
CID 64964026
1-[(2,2-dimethylcyclopropyl)methyl]-3,6-diethylpiperazine-2,5-dione
CID 114109548
6-ethyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64970533
3,6-diethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazine-2,5-dione
CID 106409193
3,6-diethyl-1-[(4-ethylcyclohexyl)methyl]piperazine-2,5-dione
CID 64968208
1-(cyclopentylmethyl)-3,6-diethylpiperazine-2,5-dione
CID 64902210

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (CID 106409492) is 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is CCC1NC(=O)C(CC)N(CCc2ncno2)C1=O.
What is the InChIKey of 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The InChIKey is JXYBDXCTBFDBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-8-12(18)16(9(4-2)11(17)15-8)6-5-10-13-7-14-19-10/h7-9H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106409492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).