3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione

C20H15F4N5O3 — CID 163283157

About 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 163283157) has the molecular formula C20H15F4N5O3 and a molecular weight of 449.36 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 163283157
• Molecular Formula: C20H15F4N5O3
• Molecular Weight: 449.36 g/mol
• Exact Mass: 449.11
• IUPAC Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1c(F)cccc1F
• InChI: InChI=1S/C20H15F4N5O3/c1-20(2)18(30)28(19(31)29(20)14-12(21)4-3-5-13(14)22)9-11-7-6-10(8-25-11)16-26-27-17(32-16)15(23)24/h3-8,15H,9H2,1-2H3
• InChIKey: RILKNVBJINDARI-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 92.43 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.36
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
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 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione (CID 163283157) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1c(F)cccc1F.

What is the InChIKey of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is RILKNVBJINDARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O3/c1-20(2)18(30)28(19(31)29(20)14-12(21)4-3-5-13(14)22)9-11-7-6-10(8-25-11)16-26-27-17(32-16)15(23)24/h3-8,15H,9H2,1-2H3.

What are the key properties of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione?

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 449.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-(2,6-difluorophenyl)-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 163283157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).