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

C22H25N5O4 — CID 53373961

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53373961) 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-[[3-(hydroxymethyl)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-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 53373961
• 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-[[3-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(CO)c3)C(C)(C)C2=O)cn1
• InChI: InChI=1S/C22H25N5O4/c1-14-19(15(2)31-24-14)12-25-11-18(9-23-25)27-20(29)22(3,4)26(21(27)30)10-16-6-5-7-17(8-16)13-28/h5-9,11,28H,10,12-13H2,1-4H3
• InChIKey: CCFDOSTXMHLBFB-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 104.70 Ų
• H-Bond Donors: 1
• 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	2.78
H-Bond Donors ≤ 5	1
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-[[3-(hydroxymethyl)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-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione (CID 53373961) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(hydroxymethyl)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-(hydroxymethyl)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-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(CO)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-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione?

The InChIKey is CCFDOSTXMHLBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-14-19(15(2)31-24-14)12-25-11-18(9-23-25)27-20(29)22(3,4)26(21(27)30)10-16-6-5-7-17(8-16)13-28/h5-9,11,28H,10,12-13H2,1-4H3.

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 423.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 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-[[3-(hydroxymethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53373961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).