3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

C22H25N5O4 — CID 53373743

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53373743) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 53373743
• Molecular Formula: C22H25N5O4
• Molecular Weight: 423.47 g/mol
• Exact Mass: 423.19
• IUPAC Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: COc1ccccc1CN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C
• InChI: InChI=1S/C22H25N5O4/c1-14-18(15(2)31-24-14)13-25-12-17(10-23-25)27-20(28)22(3,4)26(21(27)29)11-16-8-6-7-9-19(16)30-5/h6-10,12H,11,13H2,1-5H3
• InChIKey: HXHWNCBPRFIEBO-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 93.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.47
LogP ≤ 5	3.29
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-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53373743) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is COc1ccccc1CN1C(=O)N(c2cnn(Cc3c(C)noc3C)c2)C(=O)C1(C)C.

What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is HXHWNCBPRFIEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-18(15(2)31-24-14)13-25-12-17(10-23-25)27-20(28)22(3,4)26(21(27)29)11-16-8-6-7-9-19(16)30-5/h6-10,12H,11,13H2,1-5H3.

What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione?

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 423.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(2-methoxyphenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53373743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).