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

C22H21N3O5 — CID 24576777

IUPAC5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2cc(CN3C(=O)NC(C)(c4ccc(OC)cc4)C3=O)on2)cc1
InChIInChI=1S/C22H21N3O5/c1-22(15-6-10-17(29-3)11-7-15)20(26)25(21(27)23-22)13-18-12-19(24-30-18)14-4-8-16(28-2)9-5-14/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyVUGMWJPDSSNFCQ-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.33
Rot. Bonds6

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

5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 24576777) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID24576777
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Name5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(-c2cc(CN3C(=O)NC(C)(c4ccc(OC)cc4)C3=O)on2)cc1
InChIInChI=1S/C22H21N3O5/c1-22(15-6-10-17(29-3)11-7-15)20(26)25(21(27)23-22)13-18-12-19(24-30-18)14-4-8-16(28-2)9-5-14/h4-12H,13H2,1-3H3,(H,23,27)
InChIKeyVUGMWJPDSSNFCQ-UHFFFAOYSA-N
XLogP3.33
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2,4-dichlorophenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24576784
5-(4-fluorophenyl)-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 24585145
3-[(4-methoxyphenyl)methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 16577297
(5R)-5-(methoxymethyl)-5-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]imidazolidine-2,4-dione
CID 95166190
3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 47094332
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 55578979
3-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 24617036
5-(4-chlorophenyl)-3-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 18284857
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 47094602
1-butyl-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]imidazolidine-2,4,5-trione
CID 24577195
3-[[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 120862676
3-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 55411798

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 24576777) is 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(-c2cc(CN3C(=O)NC(C)(c4ccc(OC)cc4)C3=O)on2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is VUGMWJPDSSNFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-22(15-6-10-17(29-3)11-7-15)20(26)25(21(27)23-22)13-18-12-19(24-30-18)14-4-8-16(28-2)9-5-14/h4-12H,13H2,1-3H3,(H,23,27).
What are the key properties of 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 407.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 24576777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).