3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

C20H15ClFN3O3 — CID 51250110

IUPAC3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C20H15ClFN3O3/c1-20(13-4-8-15(22)9-5-13)18(26)25(19(27)24-20)11-17-23-10-16(28-17)12-2-6-14(21)7-3-12/h2-10H,11H2,1H3,(H,24,27)
InChIKeyXWHQXSZBUOASNW-UHFFFAOYSA-N
MW399.81 g/mol
LogP4.10
Rot. Bonds4

About 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione

3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 51250110) has the molecular formula C20H15ClFN3O3 and a molecular weight of 399.81 g/mol. Its IUPAC name is 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID51250110
Molecular FormulaC20H15ClFN3O3
Molecular Weight399.81 g/mol
Exact Mass399.08
IUPAC Name3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O
InChIInChI=1S/C20H15ClFN3O3/c1-20(13-4-8-15(22)9-5-13)18(26)25(19(27)24-20)11-17-23-10-16(28-17)12-2-6-14(21)7-3-12/h2-10H,11H2,1H3,(H,24,27)
InChIKeyXWHQXSZBUOASNW-UHFFFAOYSA-N
XLogP4.10
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(3-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methyl-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 46568858
(5R)-3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 94176311
(5R)-3-[(4-chlorophenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 2092267
(1R)-1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 8636383
5-(4-chlorophenyl)-5-methyl-3-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]imidazolidine-2,4-dione
CID 112787554
5-(3,4-difluorophenyl)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18100275
(5S)-5-(4-chlorophenyl)-3-[(2,6-dichlorophenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 7907582
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 26685769
3-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 46529339
5-(4-chlorophenyl)-5-methyl-3-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]imidazolidine-2,4-dione
CID 51227978
(5S)-5-(4-chlorophenyl)-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2577203
(5R)-5-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 41144059

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione (CID 51250110) is 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O.
What is the InChIKey of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is XWHQXSZBUOASNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3/c1-20(13-4-8-15(22)9-5-13)18(26)25(19(27)24-20)11-17-23-10-16(28-17)12-2-6-14(21)7-3-12/h2-10H,11H2,1H3,(H,24,27).
What are the key properties of 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione?
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 399.81 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 51250110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).