3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione

C6H6N4O3 — CID 103606183

IUPAC3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1ncon1
InChIInChI=1S/C6H6N4O3/c11-5-1-7-6(12)10(5)2-4-8-3-13-9-4/h3H,1-2H2,(H,7,12)
InChIKeyWFACVKXCEKXHAL-UHFFFAOYSA-N
MW182.14 g/mol
LogP-0.88
Rot. Bonds2

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

3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 103606183) has the molecular formula C6H6N4O3 and a molecular weight of 182.14 g/mol. Its IUPAC name is 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID103606183
Molecular FormulaC6H6N4O3
Molecular Weight182.14 g/mol
Exact Mass182.04
IUPAC Name3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1CNC(=O)N1Cc1ncon1
InChIInChI=1S/C6H6N4O3/c11-5-1-7-6(12)10(5)2-4-8-3-13-9-4/h3H,1-2H2,(H,7,12)
InChIKeyWFACVKXCEKXHAL-UHFFFAOYSA-N
XLogP-0.88
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione (CID 103606183) is 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione is O=C1CNC(=O)N1Cc1ncon1.
What is the InChIKey of 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is WFACVKXCEKXHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O3/c11-5-1-7-6(12)10(5)2-4-8-3-13-9-4/h3H,1-2H2,(H,7,12).
What are the key properties of 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione?
3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 182.14 g/mol, XLogP of -0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 103606183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).