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

C24H20F3N3O6 — CID 118069995

IUPAC1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1cc(-n2cc(C(=O)O)c(=O)n(Cc3cccc(C(F)(F)F)c3C)c2=O)ccc1N1CCOC1=O
InChIInChI=1S/C24H20F3N3O6/c1-13-10-16(6-7-19(13)28-8-9-36-23(28)35)29-12-17(21(32)33)20(31)30(22(29)34)11-15-4-3-5-18(14(15)2)24(25,26)27/h3-7,10,12H,8-9,11H2,1-2H3,(H,32,33)
InChIKeyPLJAWCYYGGSYJK-UHFFFAOYSA-N
MW503.43 g/mol
LogP3.34
Rot. Bonds5

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

1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 118069995) has the molecular formula C24H20F3N3O6 and a molecular weight of 503.43 g/mol. Its IUPAC name is 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID118069995
Molecular FormulaC24H20F3N3O6
Molecular Weight503.43 g/mol
Exact Mass503.13
IUPAC Name1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCc1cc(-n2cc(C(=O)O)c(=O)n(Cc3cccc(C(F)(F)F)c3C)c2=O)ccc1N1CCOC1=O
InChIInChI=1S/C24H20F3N3O6/c1-13-10-16(6-7-19(13)28-8-9-36-23(28)35)29-12-17(21(32)33)20(31)30(22(29)34)11-15-4-3-5-18(14(15)2)24(25,26)27/h3-7,10,12H,8-9,11H2,1-2H3,(H,32,33)
InChIKeyPLJAWCYYGGSYJK-UHFFFAOYSA-N
XLogP3.34
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid (CID 118069995) is 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid is Cc1cc(-n2cc(C(=O)O)c(=O)n(Cc3cccc(C(F)(F)F)c3C)c2=O)ccc1N1CCOC1=O.
What is the InChIKey of 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is PLJAWCYYGGSYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O6/c1-13-10-16(6-7-19(13)28-8-9-36-23(28)35)29-12-17(21(32)33)20(31)30(22(29)34)11-15-4-3-5-18(14(15)2)24(25,26)27/h3-7,10,12H,8-9,11H2,1-2H3,(H,32,33).
What are the key properties of 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid?
1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 503.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 118069995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).