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

C22H21ClN4O3 — CID 24521701

IUPAC3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(Cc3nc(-c4cccc(Cl)c4)no3)C2=O)cc1
InChIInChI=1S/C22H21ClN4O3/c1-3-5-14-8-10-16(11-9-14)22(2)20(28)27(21(29)25-22)13-18-24-19(26-30-18)15-6-4-7-17(23)12-15/h4,6-12H,3,5,13H2,1-2H3,(H,25,29)
InChIKeyJJDSBYPEOZRUBL-UHFFFAOYSA-N
MW424.89 g/mol
LogP4.31
Rot. Bonds6

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

3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (PubChem CID 24521701) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
PubChem CID24521701
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(Cc3nc(-c4cccc(Cl)c4)no3)C2=O)cc1
InChIInChI=1S/C22H21ClN4O3/c1-3-5-14-8-10-16(11-9-14)22(2)20(28)27(21(29)25-22)13-18-24-19(26-30-18)15-6-4-7-17(23)12-15/h4,6-12H,3,5,13H2,1-2H3,(H,25,29)
InChIKeyJJDSBYPEOZRUBL-UHFFFAOYSA-N
XLogP4.31
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 54.31
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

3-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 46608792
5-butyl-3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 24521120
5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227978
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46529339
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-[3-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 46484776
(5R)-5-methyl-5-(4-methylphenyl)-3-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 40790671
5-(3,4-dimethoxyphenyl)-3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 47094335
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
5-(2-chloro-4-fluorophenyl)-5-methyl-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 56520117
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
CID 55604328

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (CID 24521701) is 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is CCCc1ccc(C2(C)NC(=O)N(Cc3nc(-c4cccc(Cl)c4)no3)C2=O)cc1.
What is the InChIKey of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The InChIKey is JJDSBYPEOZRUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-3-5-14-8-10-16(11-9-14)22(2)20(28)27(21(29)25-22)13-18-24-19(26-30-18)15-6-4-7-17(23)12-15/h4,6-12H,3,5,13H2,1-2H3,(H,25,29).
What are the key properties of 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione has a molecular weight of 424.89 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24521701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).