2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid

C24H24F3N3O6 — CID 155458162

About 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid

2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 155458162) has the molecular formula C24H24F3N3O6 and a molecular weight of 507.47 g/mol. Its IUPAC name is 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
• PubChem CID: 155458162
• Molecular Formula: C24H24F3N3O6
• Molecular Weight: 507.47 g/mol
• Exact Mass: 507.16
• IUPAC Name: 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
• SMILES: O=C(O)c1cn(C2CCC(N3CCOC3=O)CC2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
• InChI: InChI=1S/C24H24F3N3O6/c25-24(26,27)18-3-1-2-16-15(18)8-9-19(16)30-20(31)17(21(32)33)12-29(22(30)34)14-6-4-13(5-7-14)28-10-11-36-23(28)35/h1-3,12-14,19H,4-11H2,(H,32,33)
• InChIKey: ZWVJVPFFNMOCOK-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 110.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.47
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid?

The IUPAC name of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid (CID 155458162) is 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid?

The canonical SMILES for 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid is O=C(O)c1cn(C2CCC(N3CCOC3=O)CC2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O.

What is the InChIKey of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid?

The InChIKey is ZWVJVPFFNMOCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O6/c25-24(26,27)18-3-1-2-16-15(18)8-9-19(16)30-20(31)17(21(32)33)12-29(22(30)34)14-6-4-13(5-7-14)28-10-11-36-23(28)35/h1-3,12-14,19H,4-11H2,(H,32,33).

What are the key properties of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid?

2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 507.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 155458162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).