5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

C20H13F5N4O3 — CID 55528869

About 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione

5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (PubChem CID 55528869) has the molecular formula C20H13F5N4O3 and a molecular weight of 452.34 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 55528869
• Molecular Formula: C20H13F5N4O3
• Molecular Weight: 452.34 g/mol
• Exact Mass: 452.09
• IUPAC Name: 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione
• SMILES: CC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1=O
• InChI: InChI=1S/C20H13F5N4O3/c1-19(12-6-7-13(21)14(22)8-12)17(30)29(18(31)27-19)9-15-26-16(28-32-15)10-2-4-11(5-3-10)20(23,24)25/h2-8H,9H2,1H3,(H,27,31)
• InChIKey: LTATXVBXVSSAOY-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.34
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione (CID 55528869) is 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione.

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

The canonical SMILES for 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is CC1(c2ccc(F)c(F)c2)NC(=O)N(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1=O.

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

The InChIKey is LTATXVBXVSSAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F5N4O3/c1-19(12-6-7-13(21)14(22)8-12)17(30)29(18(31)27-19)9-15-26-16(28-32-15)10-2-4-11(5-3-10)20(23,24)25/h2-8H,9H2,1H3,(H,27,31).

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

5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 452.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,4-difluorophenyl)-5-methyl-3-[[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55528869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).