1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione

C6H4N4O4 — CID 106407691

IUPAC1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ncon2)C1=O
InChIInChI=1S/C6H4N4O4/c11-4-5(12)10(6(13)8-4)1-3-7-2-14-9-3/h2H,1H2,(H,8,11,13)
InChIKeyJDDUVWQVKVATPS-UHFFFAOYSA-N
MW196.12 g/mol
LogP-1.35
Rot. Bonds2

About 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione

1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione (PubChem CID 106407691) has the molecular formula C6H4N4O4 and a molecular weight of 196.12 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione
PubChem CID106407691
Molecular FormulaC6H4N4O4
Molecular Weight196.12 g/mol
Exact Mass196.02
IUPAC Name1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione
SMILESO=C1NC(=O)N(Cc2ncon2)C1=O
InChIInChI=1S/C6H4N4O4/c11-4-5(12)10(6(13)8-4)1-3-7-2-14-9-3/h2H,1H2,(H,8,11,13)
InChIKeyJDDUVWQVKVATPS-UHFFFAOYSA-N
XLogP-1.35
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,4-Oxadiazol-5-yl)imidazolidine-4,5-dione
CID 90901561
1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4,5-trione
CID 61862937
3-(1,2,4-Oxadiazol-3-ylmethyl)imidazolidine-2,4-dione
CID 103606183
4-(1,2,4-Oxadiazol-3-ylmethyl)piperazine-2,6-dione
CID 103857685
2-amino-N-[2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoethyl]acetamide
CID 106396861
2-(ethylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396908
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396958
2-(methylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396962
N-(cyanomethyl)-N'-(1,2,4-oxadiazol-3-ylmethyl)oxamide
CID 106398589
N-ethyl-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106398724
N,N-dimethyl-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106398725
2-(1,2,4-Oxadiazol-3-ylmethylamino)acetamide
CID 106398751

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione (CID 106407691) is 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione is O=C1NC(=O)N(Cc2ncon2)C1=O.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione?
The InChIKey is JDDUVWQVKVATPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O4/c11-4-5(12)10(6(13)8-4)1-3-7-2-14-9-3/h2H,1H2,(H,8,11,13).
What are the key properties of 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione?
1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione has a molecular weight of 196.12 g/mol, XLogP of -1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-ylmethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 106407691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).