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

C24H18F3N3O6 — CID 122501806

IUPAC2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(N3CCOC3=O)cc2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
InChIInChI=1S/C24H18F3N3O6/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/h1-7,12,19H,8-11H2,(H,32,33)
InChIKeyPHSRNGYDMDIMEP-UHFFFAOYSA-N
MW501.42 g/mol
LogP3.21
Rot. Bonds4

About 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-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)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid (PubChem CID 122501806) has the molecular formula C24H18F3N3O6 and a molecular weight of 501.42 g/mol. Its IUPAC name is 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
PubChem CID122501806
Molecular FormulaC24H18F3N3O6
Molecular Weight501.42 g/mol
Exact Mass501.11
IUPAC Name2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cn(-c2ccc(N3CCOC3=O)cc2)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
InChIInChI=1S/C24H18F3N3O6/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/h1-7,12,19H,8-11H2,(H,32,33)
InChIKeyPHSRNGYDMDIMEP-UHFFFAOYSA-N
XLogP3.21
TPSA110.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-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)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid (CID 122501806) is 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-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)phenyl]-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)phenyl]-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)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid?
The InChIKey is PHSRNGYDMDIMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N3O6/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/h1-7,12,19H,8-11H2,(H,32,33).
What are the key properties of 2,4-dioxo-1-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-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)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid has a molecular weight of 501.42 g/mol, XLogP of 3.21, 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)phenyl]-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 122501806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).