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

C23H27N5O4 — CID 53374381

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374381) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenyl)ethyl]-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-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 53374381
• Molecular Formula: C23H27N5O4
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.21
• IUPAC Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: COc1cccc(CCN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)c1
• InChI: InChI=1S/C23H27N5O4/c1-15-20(16(2)32-25-15)14-26-13-18(12-24-26)28-21(29)23(3,4)27(22(28)30)10-9-17-7-6-8-19(11-17)31-5/h6-8,11-13H,9-10,14H2,1-5H3
• InChIKey: XORQXBPMVMFZPG-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 93.70 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.33
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-(3-methoxyphenyl)ethyl]-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-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53374381) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenyl)ethyl]-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-(3-methoxyphenyl)ethyl]-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-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(CCN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)c1.

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

The InChIKey is XORQXBPMVMFZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-15-20(16(2)32-25-15)14-26-13-18(12-24-26)28-21(29)23(3,4)27(22(28)30)10-9-17-7-6-8-19(11-17)31-5/h6-8,11-13H,9-10,14H2,1-5H3.

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[2-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 437.50 g/mol, XLogP of 3.33, 7 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-(3-methoxyphenyl)ethyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).