3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione

C20H22N6O4 — CID 53374673

About 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 53374673) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 53374673
• Molecular Formula: C20H22N6O4
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.17
• IUPAC Name: 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(=O)[nH]3)C(C)(C)C2=O)cn1
• InChI: InChI=1S/C20H22N6O4/c1-12-16(13(2)30-23-12)11-24-10-15(8-21-24)26-18(28)20(3,4)25(19(26)29)9-14-6-5-7-17(27)22-14/h5-8,10H,9,11H2,1-4H3,(H,22,27)
• InChIKey: IJOCPZAUYVIBJO-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 117.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	1.97
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]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione (CID 53374673) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(=O)[nH]3)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]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is IJOCPZAUYVIBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-12-16(13(2)30-23-12)11-24-10-15(8-21-24)26-18(28)20(3,4)25(19(26)29)9-14-6-5-7-17(27)22-14/h5-8,10H,9,11H2,1-4H3,(H,22,27).

What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione?

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 410.43 g/mol, XLogP of 1.97, 5 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]-5,5-dimethyl-1-[(6-oxo-1H-pyridin-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 53374673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).