N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide

C25H29F2N3O5Si — CID 140781189

About N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide

N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 140781189) has the molecular formula C25H29F2N3O5Si and a molecular weight of 517.61 g/mol. Its IUPAC name is N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
• PubChem CID: 140781189
• Molecular Formula: C25H29F2N3O5Si
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.18
• IUPAC Name: N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide
• SMILES: CN(C(=O)c1cc(=O)[nH]o1)C(C(=O)Nc1ccc([Si](C)(C)C)cc1)c1ccc(COCC(F)F)cc1
• InChI: InChI=1S/C25H29F2N3O5Si/c1-30(25(33)20-13-22(31)29-35-20)23(17-7-5-16(6-8-17)14-34-15-21(26)27)24(32)28-18-9-11-19(12-10-18)36(2,3)4/h5-13,21,23H,14-15H2,1-4H3,(H,28,32)(H,29,31)
• InChIKey: RXMDZTLDPMIKKK-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 104.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?

The IUPAC name of N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide (CID 140781189) is N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide.

What is the SMILES notation for N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?

The canonical SMILES for N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is CN(C(=O)c1cc(=O)[nH]o1)C(C(=O)Nc1ccc([Si](C)(C)C)cc1)c1ccc(COCC(F)F)cc1.

What is the InChIKey of N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?

The InChIKey is RXMDZTLDPMIKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N3O5Si/c1-30(25(33)20-13-22(31)29-35-20)23(17-7-5-16(6-8-17)14-34-15-21(26)27)24(32)28-18-9-11-19(12-10-18)36(2,3)4/h5-13,21,23H,14-15H2,1-4H3,(H,28,32)(H,29,31).

What are the key properties of N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide?

N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 3.75, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(2,2-difluoroethoxymethyl)phenyl]-2-oxo-2-(4-trimethylsilylanilino)ethyl]-N-methyl-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 140781189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).