5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione

C24H26N4O5 — CID 55412063

IUPAC5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3ccc(OC)cc3OC)no2)C1=O
InChIInChI=1S/C24H26N4O5/c1-4-5-13-24(16-9-7-6-8-10-16)22(29)28(23(30)26-24)15-20-25-21(27-33-20)18-12-11-17(31-2)14-19(18)32-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,26,30)
InChIKeyQYXPNVTWTXJFCG-UHFFFAOYSA-N
MW450.50 g/mol
LogP3.89
Rot. Bonds9

About 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione

5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 55412063) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID55412063
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCCCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3ccc(OC)cc3OC)no2)C1=O
InChIInChI=1S/C24H26N4O5/c1-4-5-13-24(16-9-7-6-8-10-16)22(29)28(23(30)26-24)15-20-25-21(27-33-20)18-12-11-17(31-2)14-19(18)32-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,26,30)
InChIKeyQYXPNVTWTXJFCG-UHFFFAOYSA-N
XLogP3.89
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55327621
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 92786855
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-hexyl-5-methylimidazolidine-2,4-dione
CID 97098327
5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860
3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 55411798
5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 18275723
5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 24521120
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
5-ethyl-5-phenyl-3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227984
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 43038665
(5R)-5-ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-5-phenylimidazolidine-2,4-dione
CID 51982999

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 55412063) is 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione is CCCCC1(c2ccccc2)NC(=O)N(Cc2nc(-c3ccc(OC)cc3OC)no2)C1=O.
What is the InChIKey of 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is QYXPNVTWTXJFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-4-5-13-24(16-9-7-6-8-10-16)22(29)28(23(30)26-24)15-20-25-21(27-33-20)18-12-11-17(31-2)14-19(18)32-3/h6-12,14H,4-5,13,15H2,1-3H3,(H,26,30).
What are the key properties of 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione?
5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 450.50 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 55412063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).