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

C13H20N4O3 — CID 106422050

IUPAC3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCc1noc(CCN2CC(=O)NC(C(C)(C)C)C2=O)n1
InChIInChI=1S/C13H20N4O3/c1-8-14-10(20-16-8)5-6-17-7-9(18)15-11(12(17)19)13(2,3)4/h11H,5-7H2,1-4H3,(H,15,18)
InChIKeyAGYXSTBAANKVKA-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.29
Rot. Bonds3

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

3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (PubChem CID 106422050) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
PubChem CID106422050
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCc1noc(CCN2CC(=O)NC(C(C)(C)C)C2=O)n1
InChIInChI=1S/C13H20N4O3/c1-8-14-10(20-16-8)5-6-17-7-9(18)15-11(12(17)19)13(2,3)4/h11H,5-7H2,1-4H3,(H,15,18)
InChIKeyAGYXSTBAANKVKA-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 106422049
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422027
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 106422268
3-tert-butyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,5-dione
CID 106045774
4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione
CID 106421274
3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64964726
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106421991
3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
CID 106421356
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106422000
3-tert-butyl-1-nonylpiperazine-2,5-dione
CID 64880756
3-tert-butyl-1-but-3-ynylpiperazine-2,5-dione
CID 64972437
3-(ethylamino)-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidin-2-one
CID 106418226

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (CID 106422050) is 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is Cc1noc(CCN2CC(=O)NC(C(C)(C)C)C2=O)n1.
What is the InChIKey of 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The InChIKey is AGYXSTBAANKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-14-10(20-16-8)5-6-17-7-9(18)15-11(12(17)19)13(2,3)4/h11H,5-7H2,1-4H3,(H,15,18).
What are the key properties of 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106422050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).