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

C20H16ClFN4O4 — CID 56519349

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

5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 56519349) has the molecular formula C20H16ClFN4O4 and a molecular weight of 430.82 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 56519349
• Molecular Formula: C20H16ClFN4O4
• Molecular Weight: 430.82 g/mol
• Exact Mass: 430.08
• IUPAC Name: 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: COc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)cc4Cl)C3=O)no2)cc1
• InChI: InChI=1S/C20H16ClFN4O4/c1-20(14-8-5-12(22)9-15(14)21)18(27)26(19(28)24-20)10-16-23-17(30-25-16)11-3-6-13(29-2)7-4-11/h3-9H,10H2,1-2H3,(H,24,28)
• InChIKey: JPTPDHASQAAJKM-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 97.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.82
LogP ≤ 5	3.50
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 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 56519349) is 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione is COc1ccc(-c2nc(CN3C(=O)NC(C)(c4ccc(F)cc4Cl)C3=O)no2)cc1.

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

The InChIKey is JPTPDHASQAAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O4/c1-20(14-8-5-12(22)9-15(14)21)18(27)26(19(28)24-20)10-16-23-17(30-25-16)11-3-6-13(29-2)7-4-11/h3-9H,10H2,1-2H3,(H,24,28).

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

5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 430.82 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-fluorophenyl)-3-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 56519349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).