3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

C24H18ClN3O3 — CID 46582960

About 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione

3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (PubChem CID 46582960) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
• PubChem CID: 46582960
• Molecular Formula: C24H18ClN3O3
• Molecular Weight: 431.88 g/mol
• Exact Mass: 431.10
• IUPAC Name: 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
• SMILES: CC1(c2cccc3ccccc23)NC(=O)N(Cc2coc(-c3ccc(Cl)cc3)n2)C1=O
• InChI: InChI=1S/C24H18ClN3O3/c1-24(20-8-4-6-15-5-2-3-7-19(15)20)22(29)28(23(30)27-24)13-18-14-31-21(26-18)16-9-11-17(25)12-10-16/h2-12,14H,13H2,1H3,(H,27,30)
• InChIKey: KKLCTGAXSFALOU-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.88
LogP ≤ 5	5.12
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 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?

The IUPAC name of 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione (CID 46582960) is 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is CC1(c2cccc3ccccc23)NC(=O)N(Cc2coc(-c3ccc(Cl)cc3)n2)C1=O.

What is the InChIKey of 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?

The InChIKey is KKLCTGAXSFALOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-24(20-8-4-6-15-5-2-3-7-19(15)20)22(29)28(23(30)27-24)13-18-14-31-21(26-18)16-9-11-17(25)12-10-16/h2-12,14H,13H2,1H3,(H,27,30).

What are the key properties of 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione?

3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione has a molecular weight of 431.88 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione is sourced from PubChem (CID 46582960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).