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

C20H17FN4O3 — CID 39959090

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

(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 39959090) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
• PubChem CID: 39959090
• Molecular Formula: C20H17FN4O3
• Molecular Weight: 380.38 g/mol
• Exact Mass: 380.13
• IUPAC Name: (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
• SMILES: Cc1ccc(N2C(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C(=O)[C@H]2C)cc1
• InChI: InChI=1S/C20H17FN4O3/c1-12-3-9-16(10-4-12)25-13(2)19(26)24(20(25)27)11-17-22-18(23-28-17)14-5-7-15(21)8-6-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1
• InChIKey: BEIFNSSQROZYEG-CYBMUJFWSA-N
• XLogP: 3.54
• TPSA: 79.54 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.38
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
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 (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?

The IUPAC name of (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 39959090) is (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

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

The canonical SMILES for (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(Cc3nc(-c4ccc(F)cc4)no3)C(=O)[C@H]2C)cc1.

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

The InChIKey is BEIFNSSQROZYEG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-12-3-9-16(10-4-12)25-13(2)19(26)24(20(25)27)11-17-22-18(23-28-17)14-5-7-15(21)8-6-14/h3-10,13H,11H2,1-2H3/t13-/m1/s1.

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

(5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 380.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 39959090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).