4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione

C7H8N4O3 — CID 103857685

IUPAC4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ncon2)CC(=O)N1
InChIInChI=1S/C7H8N4O3/c12-6-2-11(3-7(13)9-6)1-5-8-4-14-10-5/h4H,1-3H2,(H,9,12,13)
InChIKeyFWDLEIVJEKZRGD-UHFFFAOYSA-N
MW196.17 g/mol
LogP-1.47
Rot. Bonds2

About 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione

4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione (PubChem CID 103857685) has the molecular formula C7H8N4O3 and a molecular weight of 196.17 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione
PubChem CID103857685
Molecular FormulaC7H8N4O3
Molecular Weight196.17 g/mol
Exact Mass196.06
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ncon2)CC(=O)N1
InChIInChI=1S/C7H8N4O3/c12-6-2-11(3-7(13)9-6)1-5-8-4-14-10-5/h4H,1-3H2,(H,9,12,13)
InChIKeyFWDLEIVJEKZRGD-UHFFFAOYSA-N
XLogP-1.47
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione (CID 103857685) is 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione is O=C1CN(Cc2ncon2)CC(=O)N1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione?
The InChIKey is FWDLEIVJEKZRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3/c12-6-2-11(3-7(13)9-6)1-5-8-4-14-10-5/h4H,1-3H2,(H,9,12,13).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione?
4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione has a molecular weight of 196.17 g/mol, XLogP of -1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 103857685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).