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

C21H18FN3O4 — CID 24585145

IUPAC5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1-c1cc(CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)on1
InChIInChI=1S/C21H18FN3O4/c1-21(13-7-9-14(22)10-8-13)19(26)25(20(27)23-21)12-15-11-17(24-29-15)16-5-3-4-6-18(16)28-2/h3-11H,12H2,1-2H3,(H,23,27)
InChIKeyWPFSMDJCJZFFTM-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.46
Rot. Bonds5

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

5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24585145) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID24585145
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Name5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1-c1cc(CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)on1
InChIInChI=1S/C21H18FN3O4/c1-21(13-7-9-14(22)10-8-13)19(26)25(20(27)23-21)12-15-11-17(24-29-15)16-5-3-4-6-18(16)28-2/h3-11H,12H2,1-2H3,(H,23,27)
InChIKeyWPFSMDJCJZFFTM-UHFFFAOYSA-N
XLogP3.46
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.46
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-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24576777
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
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95166190
(5S)-3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 92786855
(5S)-3-[(2-chloro-4-fluorophenyl)methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 40811441
5-(4-fluorophenyl)-5-methyl-3-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 51259391
3-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24593361
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 43038665
3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 55411798
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593
3-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 42982762

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 24585145) is 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccccc1-c1cc(CN2C(=O)NC(C)(c3ccc(F)cc3)C2=O)on1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is WPFSMDJCJZFFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-21(13-7-9-14(22)10-8-13)19(26)25(20(27)23-21)12-15-11-17(24-29-15)16-5-3-4-6-18(16)28-2/h3-11H,12H2,1-2H3,(H,23,27).
What are the key properties of 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 395.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24585145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).