2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione

C5H4N4O3 — CID 90901561

IUPAC2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione
SMILESO=C1NC(c2ncno2)NC1=O
InChIInChI=1S/C5H4N4O3/c10-3-4(11)9-2(8-3)5-6-1-7-12-5/h1-2H,(H,8,10)(H,9,11)
InChIKeyQFFJNENCMVKCGJ-UHFFFAOYSA-N
MW168.11 g/mol
LogP-1.69
Rot. Bonds1

About 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione

2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione (PubChem CID 90901561) has the molecular formula C5H4N4O3 and a molecular weight of 168.11 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione
PubChem CID90901561
Molecular FormulaC5H4N4O3
Molecular Weight168.11 g/mol
Exact Mass168.03
IUPAC Name2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione
SMILESO=C1NC(c2ncno2)NC1=O
InChIInChI=1S/C5H4N4O3/c10-3-4(11)9-2(8-3)5-6-1-7-12-5/h1-2H,(H,8,10)(H,9,11)
InChIKeyQFFJNENCMVKCGJ-UHFFFAOYSA-N
XLogP-1.69
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.11
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione (CID 90901561) is 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione is O=C1NC(c2ncno2)NC1=O.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione?
The InChIKey is QFFJNENCMVKCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O3/c10-3-4(11)9-2(8-3)5-6-1-7-12-5/h1-2H,(H,8,10)(H,9,11).
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione?
2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione has a molecular weight of 168.11 g/mol, XLogP of -1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)imidazolidine-4,5-dione is sourced from PubChem (CID 90901561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).