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

C20H15FN4O5 — CID 55753441

IUPAC1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2noc(-c3ccc(F)cc3)n2)C1=O
InChIInChI=1S/C20H15FN4O5/c1-2-29-15-6-4-3-5-14(15)25-19(27)18(26)24(20(25)28)11-16-22-17(30-23-16)12-7-9-13(21)10-8-12/h3-10H,2,11H2,1H3
InChIKeyZUWHRYFNJWZGJU-UHFFFAOYSA-N
MW410.36 g/mol
LogP2.77
Rot. Bonds6

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

1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione (PubChem CID 55753441) has the molecular formula C20H15FN4O5 and a molecular weight of 410.36 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione
PubChem CID55753441
Molecular FormulaC20H15FN4O5
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione
SMILESCCOc1ccccc1N1C(=O)C(=O)N(Cc2noc(-c3ccc(F)cc3)n2)C1=O
InChIInChI=1S/C20H15FN4O5/c1-2-29-15-6-4-3-5-14(15)25-19(27)18(26)24(20(25)28)11-16-22-17(30-23-16)12-7-9-13(21)10-8-12/h3-10H,2,11H2,1H3
InChIKeyZUWHRYFNJWZGJU-UHFFFAOYSA-N
XLogP2.77
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 52.77
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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Related Compounds

1-[(5-bromo-2-fluorophenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 60593622
1-[(2-bromo-3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 55875031
3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylquinazolin-4-one
CID 53060188
1-[(3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 55579075
1-[[1-[4-(difluoromethoxy)phenyl]tetrazol-5-yl]methyl]-3-(2-ethoxyphenyl)imidazolidine-2,4,5-trione
CID 55988029
1-(2-ethoxyphenyl)-3-(4-fluorophenyl)-4-(N-methylanilino)pyrrole-2,5-dione
CID 110544717
2-ethoxy-N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747846
5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 56519349
2-[3-(2-ethoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-propylphenyl)acetamide
CID 55511336
5-(4-fluorophenyl)-3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 167279716
5-methyl-5-(4-methylphenyl)-3-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4-dione
CID 43047103
2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 25220755

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione (CID 55753441) is 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione is CCOc1ccccc1N1C(=O)C(=O)N(Cc2noc(-c3ccc(F)cc3)n2)C1=O.
What is the InChIKey of 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione?
The InChIKey is ZUWHRYFNJWZGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O5/c1-2-29-15-6-4-3-5-14(15)25-19(27)18(26)24(20(25)28)11-16-22-17(30-23-16)12-7-9-13(21)10-8-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione?
1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione has a molecular weight of 410.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 55753441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).