2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide

C22H24N6O5 — CID 57422469

About 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide

2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 57422469) has the molecular formula C22H24N6O5 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
• PubChem CID: 57422469
• Molecular Formula: C22H24N6O5
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.18
• IUPAC Name: 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
• SMILES: COc1cccc(CNC(=O)CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1
• InChI: InChI=1S/C22H24N6O5/c1-13-18(14(2)33-26-13)12-27-11-16(10-24-27)28-21(30)19(25-22(28)31)8-20(29)23-9-15-5-4-6-17(7-15)32-3/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,23,29)(H,25,31)
• InChIKey: GKQNFWCKTQKHPU-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 131.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide?

The IUPAC name of 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 57422469) is 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

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

The canonical SMILES for 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CC2NC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1.

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

The InChIKey is GKQNFWCKTQKHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O5/c1-13-18(14(2)33-26-13)12-27-11-16(10-24-27)28-21(30)19(25-22(28)31)8-20(29)23-9-15-5-4-6-17(7-15)32-3/h4-7,10-11,19H,8-9,12H2,1-3H3,(H,23,29)(H,25,31).

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

2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 452.47 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,5-dioxoimidazolidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 57422469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).