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

C26H24F3N3O6 — CID 118065050

IUPACethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(CN3CCOC3=O)cc2)c(=O)n(Cc2cccc(C(F)(F)F)c2C)c1=O
InChIInChI=1S/C26H24F3N3O6/c1-3-37-23(34)20-15-31(19-9-7-17(8-10-19)13-30-11-12-38-25(30)36)24(35)32(22(20)33)14-18-5-4-6-21(16(18)2)26(27,28)29/h4-10,15H,3,11-14H2,1-2H3
InChIKeyZGMJWMRSQMZSTJ-UHFFFAOYSA-N
MW531.49 g/mol
LogP3.50
Rot. Bonds7

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

ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate (PubChem CID 118065050) has the molecular formula C26H24F3N3O6 and a molecular weight of 531.49 g/mol. Its IUPAC name is ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate
PubChem CID118065050
Molecular FormulaC26H24F3N3O6
Molecular Weight531.49 g/mol
Exact Mass531.16
IUPAC Nameethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cn(-c2ccc(CN3CCOC3=O)cc2)c(=O)n(Cc2cccc(C(F)(F)F)c2C)c1=O
InChIInChI=1S/C26H24F3N3O6/c1-3-37-23(34)20-15-31(19-9-7-17(8-10-19)13-30-11-12-38-25(30)36)24(35)32(22(20)33)14-18-5-4-6-21(16(18)2)26(27,28)29/h4-10,15H,3,11-14H2,1-2H3
InChIKeyZGMJWMRSQMZSTJ-UHFFFAOYSA-N
XLogP3.50
TPSA99.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.49
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate (CID 118065050) is ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate is CCOC(=O)c1cn(-c2ccc(CN3CCOC3=O)cc2)c(=O)n(Cc2cccc(C(F)(F)F)c2C)c1=O.
What is the InChIKey of ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate?
The InChIKey is ZGMJWMRSQMZSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O6/c1-3-37-23(34)20-15-31(19-9-7-17(8-10-19)13-30-11-12-38-25(30)36)24(35)32(22(20)33)14-18-5-4-6-21(16(18)2)26(27,28)29/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate?
ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate has a molecular weight of 531.49 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1-[4-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]pyrimidine-5-carboxylate is sourced from PubChem (CID 118065050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).