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

C24H19F2N5O4 — CID 163283197

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

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 163283197) has the molecular formula C24H19F2N5O4 and a molecular weight of 479.44 g/mol. Its IUPAC name is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 163283197
• Molecular Formula: C24H19F2N5O4
• Molecular Weight: 479.44 g/mol
• Exact Mass: 479.14
• IUPAC Name: 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1ccc(-c2ccoc2)cc1
• InChI: InChI=1S/C24H19F2N5O4/c1-24(2)22(32)30(12-17-6-3-15(11-27-17)20-28-29-21(35-20)19(25)26)23(33)31(24)18-7-4-14(5-8-18)16-9-10-34-13-16/h3-11,13,19H,12H2,1-2H3
• InChIKey: XBIXZZAATLHTIK-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 105.57 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.44
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 163283197) is 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-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-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(Cc2ccc(-c3nnc(C(F)F)o3)cn2)C(=O)N1c1ccc(-c2ccoc2)cc1.

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

The InChIKey is XBIXZZAATLHTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O4/c1-24(2)22(32)30(12-17-6-3-15(11-27-17)20-28-29-21(35-20)19(25)26)23(33)31(24)18-7-4-14(5-8-18)16-9-10-34-13-16/h3-11,13,19H,12H2,1-2H3.

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

3-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-1-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 479.44 g/mol, XLogP of 5.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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-[4-(furan-3-yl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 163283197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).