3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

C25H22N4O4 — CID 43038665

IUPAC3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCOc1ccccc1-c1noc(CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)n1
InChIInChI=1S/C25H22N4O4/c1-3-32-20-11-7-6-10-19(20)22-26-21(33-28-22)15-29-23(30)25(2,27-24(29)31)18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,3,15H2,1-2H3,(H,27,31)
InChIKeyGSHFQHBORJNQEO-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.26
Rot. Bonds6

About 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione

3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (PubChem CID 43038665) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
PubChem CID43038665
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
SMILESCCOc1ccccc1-c1noc(CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)n1
InChIInChI=1S/C25H22N4O4/c1-3-32-20-11-7-6-10-19(20)22-26-21(33-28-22)15-29-23(30)25(2,27-24(29)31)18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,3,15H2,1-2H3,(H,27,31)
InChIKeyGSHFQHBORJNQEO-UHFFFAOYSA-N
XLogP4.26
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 45281262
3-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 55376162
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 92786855
3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 55411798
(5R)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056016
(5S)-3-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 31056015
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
3-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(3-nitrophenyl)imidazolidine-2,4-dione
CID 43075788
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
3-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55578823
3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 16593438

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione (CID 43038665) is 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is CCOc1ccccc1-c1noc(CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)n1.
What is the InChIKey of 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
The InChIKey is GSHFQHBORJNQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-3-32-20-11-7-6-10-19(20)22-26-21(33-28-22)15-29-23(30)25(2,27-24(29)31)18-13-12-16-8-4-5-9-17(16)14-18/h4-14H,3,15H2,1-2H3,(H,27,31).
What are the key properties of 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione?
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione has a molecular weight of 442.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 43038665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).