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

C21H21F2N5O3 — CID 53374472

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

1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 53374472) has the molecular formula C21H21F2N5O3 and a molecular weight of 429.43 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
• PubChem CID: 53374472
• Molecular Formula: C21H21F2N5O3
• Molecular Weight: 429.43 g/mol
• Exact Mass: 429.16
• IUPAC Name: 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione
• SMILES: Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(F)c3F)C(C)(C)C2=O)cn1
• InChI: InChI=1S/C21H21F2N5O3/c1-12-16(13(2)31-25-12)11-26-10-15(8-24-26)28-19(29)21(3,4)27(20(28)30)9-14-6-5-7-17(22)18(14)23/h5-8,10H,9,11H2,1-4H3
• InChIKey: NNSSWVZALNMQNM-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 84.47 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.43
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?

The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione (CID 53374472) is 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione.

What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione?

The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(F)c3F)C(C)(C)C2=O)cn1.

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

The InChIKey is NNSSWVZALNMQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N5O3/c1-12-16(13(2)31-25-12)11-26-10-15(8-24-26)28-19(29)21(3,4)27(20(28)30)9-14-6-5-7-17(22)18(14)23/h5-8,10H,9,11H2,1-4H3.

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

1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 429.43 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2,3-difluorophenyl)methyl]-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 53374472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).