5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

C22H20ClFN4O3 — CID 24521120

IUPAC5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3cccc(Cl)c3)no2)C1=O
InChIInChI=1S/C22H20ClFN4O3/c1-2-3-11-22(15-7-9-17(24)10-8-15)20(29)28(21(30)26-22)13-18-25-19(27-31-18)14-5-4-6-16(23)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,26,30)
InChIKeyFOHVRHLWUWWBQM-UHFFFAOYSA-N
MW442.88 g/mol
LogP4.67
Rot. Bonds7

About 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione

5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (PubChem CID 24521120) has the molecular formula C22H20ClFN4O3 and a molecular weight of 442.88 g/mol. Its IUPAC name is 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
PubChem CID24521120
Molecular FormulaC22H20ClFN4O3
Molecular Weight442.88 g/mol
Exact Mass442.12
IUPAC Name5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
SMILESCCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3cccc(Cl)c3)no2)C1=O
InChIInChI=1S/C22H20ClFN4O3/c1-2-3-11-22(15-7-9-17(24)10-8-15)20(29)28(21(30)26-22)13-18-25-19(27-31-18)14-5-4-6-16(23)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,26,30)
InChIKeyFOHVRHLWUWWBQM-UHFFFAOYSA-N
XLogP4.67
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-5-(4-fluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 18275723
5-butyl-5-phenyl-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 24670860
5-butyl-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55327621
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 24521701
5-butyl-5-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 112775559
5-butyl-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 55412063
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 56520117
5-(2,4-dichlorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 43030300
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
(5S)-5-(2-chloro-4-fluorophenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 99115182
(5R)-5-butyl-5-(4-fluorophenyl)-3-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 7621342

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione (CID 24521120) is 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is CCCCC1(c2ccc(F)cc2)NC(=O)N(Cc2nc(-c3cccc(Cl)c3)no2)C1=O.
What is the InChIKey of 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
The InChIKey is FOHVRHLWUWWBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN4O3/c1-2-3-11-22(15-7-9-17(24)10-8-15)20(29)28(21(30)26-22)13-18-25-19(27-31-18)14-5-4-6-16(23)12-14/h4-10,12H,2-3,11,13H2,1H3,(H,26,30).
What are the key properties of 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione?
5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione has a molecular weight of 442.88 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24521120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).