ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate

C26H24F3N3O6 — CID 118064811

About ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate

ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate (PubChem CID 118064811) has the molecular formula C26H24F3N3O6 and a molecular weight of 531.49 g/mol. Its IUPAC name is ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate
• PubChem CID: 118064811
• Molecular Formula: C26H24F3N3O6
• Molecular Weight: 531.49 g/mol
• Exact Mass: 531.16
• IUPAC Name: ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate
• SMILES: CCOC(=O)c1cn(-c2ccc(N3CCOC3=O)c(C)c2)c(=O)n(Cc2cccc(C(F)(F)F)c2C)c1=O
• InChI: InChI=1S/C26H24F3N3O6/c1-4-37-23(34)19-14-31(18-8-9-21(15(2)12-18)30-10-11-38-25(30)36)24(35)32(22(19)33)13-17-6-5-7-20(16(17)3)26(27,28)29/h5-9,12,14H,4,10-11,13H2,1-3H3
• InChIKey: XHTYXHFEKKHDKO-UHFFFAOYSA-N
• XLogP: 3.82
• TPSA: 99.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.49
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate?

The IUPAC name of ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate (CID 118064811) is ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate.

What is the SMILES notation for ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate?

The canonical SMILES for ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate is CCOC(=O)c1cn(-c2ccc(N3CCOC3=O)c(C)c2)c(=O)n(Cc2cccc(C(F)(F)F)c2C)c1=O.

What is the InChIKey of ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate?

The InChIKey is XHTYXHFEKKHDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O6/c1-4-37-23(34)19-14-31(18-8-9-21(15(2)12-18)30-10-11-38-25(30)36)24(35)32(22(19)33)13-17-6-5-7-20(16(17)3)26(27,28)29/h5-9,12,14H,4,10-11,13H2,1-3H3.

What are the key properties of ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate?

ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate has a molecular weight of 531.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylate is sourced from PubChem (CID 118064811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).