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

C21H20N4O4 — CID 47094602

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

3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 47094602) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
• PubChem CID: 47094602
• Molecular Formula: C21H20N4O4
• Molecular Weight: 392.42 g/mol
• Exact Mass: 392.15
• IUPAC Name: 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
• SMILES: COc1ccc(-c2nnc(CN3C(=O)NC(C)(c4ccc(C)cc4)C3=O)o2)cc1
• InChI: InChI=1S/C21H20N4O4/c1-13-4-8-15(9-5-13)21(2)19(26)25(20(27)22-21)12-17-23-24-18(29-17)14-6-10-16(28-3)11-7-14/h4-11H,12H2,1-3H3,(H,22,27)
• InChIKey: ACUJFRXSRKQBAV-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.42
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?

The IUPAC name of 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione (CID 47094602) is 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is COc1ccc(-c2nnc(CN3C(=O)NC(C)(c4ccc(C)cc4)C3=O)o2)cc1.

What is the InChIKey of 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?

The InChIKey is ACUJFRXSRKQBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-13-4-8-15(9-5-13)21(2)19(26)25(20(27)22-21)12-17-23-24-18(29-17)14-6-10-16(28-3)11-7-14/h4-11H,12H2,1-3H3,(H,22,27).

What are the key properties of 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione?

3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 392.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 47094602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).