1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione

C16H16N4O5 — CID 47021942

IUPAC1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCOCCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O
InChIInChI=1S/C16H16N4O5/c1-10-5-3-4-6-11(10)13-17-12(25-18-13)9-20-15(22)14(21)19(16(20)23)7-8-24-2/h3-6H,7-9H2,1-2H3
InChIKeySAKPKHQHGPMWHM-UHFFFAOYSA-N
MW344.33 g/mol
LogP0.98
Rot. Bonds6

About 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione

1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 47021942) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID47021942
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC Name1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione
SMILESCOCCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O
InChIInChI=1S/C16H16N4O5/c1-10-5-3-4-6-11(10)13-17-12(25-18-13)9-20-15(22)14(21)19(16(20)23)7-8-24-2/h3-6H,7-9H2,1-2H3
InChIKeySAKPKHQHGPMWHM-UHFFFAOYSA-N
XLogP0.98
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione (CID 47021942) is 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione is COCCN1C(=O)C(=O)N(Cc2nc(-c3ccccc3C)no2)C1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is SAKPKHQHGPMWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O5/c1-10-5-3-4-6-11(10)13-17-12(25-18-13)9-20-15(22)14(21)19(16(20)23)7-8-24-2/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione?
1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 344.33 g/mol, XLogP of 0.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 47021942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).