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

C20H14ClF2N3O3 — CID 56519095

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

5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 56519095) has the molecular formula C20H14ClF2N3O3 and a molecular weight of 417.80 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 56519095
• Molecular Formula: C20H14ClF2N3O3
• Molecular Weight: 417.80 g/mol
• Exact Mass: 417.07
• IUPAC Name: 5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione
• SMILES: CC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O
• InChI: InChI=1S/C20H14ClF2N3O3/c1-20(15-7-6-13(23)8-16(15)21)18(27)26(19(28)25-20)9-14-10-29-17(24-14)11-2-4-12(22)5-3-11/h2-8,10H,9H2,1H3,(H,25,28)
• InChIKey: LDYPDBOXGVKIJS-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.80
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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

The IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 56519095) is 5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(F)cc2Cl)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O.

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

The InChIKey is LDYPDBOXGVKIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O3/c1-20(15-7-6-13(23)8-16(15)21)18(27)26(19(28)25-20)9-14-10-29-17(24-14)11-2-4-12(22)5-3-11/h2-8,10H,9H2,1H3,(H,25,28).

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

5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 417.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-fluorophenyl)-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 56519095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).