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

C23H27N5O5 — CID 53374284

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374284) has the molecular formula C23H27N5O5 and a molecular weight of 453.50 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(2-hydroxyethoxy)phenyl]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-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 53374284
• Molecular Formula: C23H27N5O5
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.20
• IUPAC Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(OCCO)c3)C(C)(C)C2=O)cn1
• InChI: InChI=1S/C23H27N5O5/c1-15-20(16(2)33-25-15)14-26-13-18(11-24-26)28-21(30)23(3,4)27(22(28)31)12-17-6-5-7-19(10-17)32-9-8-29/h5-7,10-11,13,29H,8-9,12,14H2,1-4H3
• InChIKey: HOQKILFZGNLRBR-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 113.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
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 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(2-hydroxyethoxy)phenyl]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-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53374284) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(2-hydroxyethoxy)phenyl]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-[[3-(2-hydroxyethoxy)phenyl]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-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(OCCO)c3)C(C)(C)C2=O)cn1.

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

The InChIKey is HOQKILFZGNLRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5/c1-15-20(16(2)33-25-15)14-26-13-18(11-24-26)28-21(30)23(3,4)27(22(28)31)12-17-6-5-7-19(10-17)32-9-8-29/h5-7,10-11,13,29H,8-9,12,14H2,1-4H3.

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 453.50 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).