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

C13H20N4O3 — CID 106409620

IUPAC3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1CCc1ncno1
InChIInChI=1S/C13H20N4O3/c1-8-11(18)16-10(13(2,3)4)12(19)17(8)6-5-9-14-7-15-20-9/h7-8,10H,5-6H2,1-4H3,(H,16,18)
InChIKeyUFAWNJUEPSIJAN-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.37
Rot. Bonds3

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

3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (PubChem CID 106409620) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
PubChem CID106409620
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCC1C(=O)NC(C(C)(C)C)C(=O)N1CCc1ncno1
InChIInChI=1S/C13H20N4O3/c1-8-11(18)16-10(13(2,3)4)12(19)17(8)6-5-9-14-7-15-20-9/h7-8,10H,5-6H2,1-4H3,(H,16,18)
InChIKeyUFAWNJUEPSIJAN-UHFFFAOYSA-N
XLogP0.37
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-diethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409492
3-tert-butyl-6-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64900734
3-tert-butyl-6-methyl-1-octylpiperazine-2,5-dione
CID 64902838
3-tert-butyl-6-methyl-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64900733
3-tert-butyl-6-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627661
3-tert-butyl-6-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperazine-2,5-dione
CID 64967667
3-tert-butyl-6-methyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64902646
3-tert-butyl-6-methyl-1-(2-propoxyethyl)piperazine-2,5-dione
CID 106459018
3-tert-butyl-6-methyl-1-(2-thiomorpholin-4-ylethyl)piperazine-2,5-dione
CID 106326406
3-tert-butyl-1,6-dimethylpiperazine-2,5-dione
CID 64902648
3-tert-butyl-1-[(4-chlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64902457
3,3,6-triethyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106409497

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (CID 106409620) is 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is CC1C(=O)NC(C(C)(C)C)C(=O)N1CCc1ncno1.
What is the InChIKey of 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The InChIKey is UFAWNJUEPSIJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-11(18)16-10(13(2,3)4)12(19)17(8)6-5-9-14-7-15-20-9/h7-8,10H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106409620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).