5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

C24H22N6O3 — CID 154838576

About 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione

5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 154838576) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 154838576
• Molecular Formula: C24H22N6O3
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.18
• IUPAC Name: 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1cc(C)n(-c2ccc(Cc3nc(-c4cccc(C5(C)NC(=O)NC5=O)c4)no3)cc2)n1
• InChI: InChI=1S/C24H22N6O3/c1-14-11-15(2)30(28-14)19-9-7-16(8-10-19)12-20-25-21(29-33-20)17-5-4-6-18(13-17)24(3)22(31)26-23(32)27-24/h4-11,13H,12H2,1-3H3,(H2,26,27,31,32)
• InChIKey: MANUWBFJHKGYBV-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 114.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
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 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione (CID 154838576) is 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione.

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

The canonical SMILES for 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is Cc1cc(C)n(-c2ccc(Cc3nc(-c4cccc(C5(C)NC(=O)NC5=O)c4)no3)cc2)n1.

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

The InChIKey is MANUWBFJHKGYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-14-11-15(2)30(28-14)19-9-7-16(8-10-19)12-20-25-21(29-33-20)17-5-4-6-18(13-17)24(3)22(31)26-23(32)27-24/h4-11,13H,12H2,1-3H3,(H2,26,27,31,32).

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

5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 442.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[5-[[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 154838576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).