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

C9H12N4O3 — CID 106421274

IUPAC4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione
SMILESCc1noc(CCN2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H12N4O3/c1-6-10-9(16-12-6)2-3-13-4-7(14)11-8(15)5-13/h2-5H2,1H3,(H,11,14,15)
InChIKeyZKHFYQRYGHRAMH-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.12
Rot. Bonds3

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

4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione (PubChem CID 106421274) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione
PubChem CID106421274
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC Name4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione
SMILESCc1noc(CCN2CC(=O)NC(=O)C2)n1
InChIInChI=1S/C9H12N4O3/c1-6-10-9(16-12-6)2-3-13-4-7(14)11-8(15)5-13/h2-5H2,1H3,(H,11,14,15)
InChIKeyZKHFYQRYGHRAMH-UHFFFAOYSA-N
XLogP-1.12
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 106422268
9-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 106421991
3-tert-butyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
CID 106422050
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
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 106420818
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1,4-diazepane-2,5-dione
CID 106422000
3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
CID 106421356
N-ethyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 114186320
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-amine
CID 106421375
4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazine-2,6-dione
CID 106045753
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 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione?
The IUPAC name of 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione (CID 106421274) is 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione is Cc1noc(CCN2CC(=O)NC(=O)C2)n1.
What is the InChIKey of 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione?
The InChIKey is ZKHFYQRYGHRAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-6-10-9(16-12-6)2-3-13-4-7(14)11-8(15)5-13/h2-5H2,1H3,(H,11,14,15).
What are the key properties of 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione?
4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione has a molecular weight of 224.22 g/mol, XLogP of -1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 106421274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).