methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

C24H18F3NO4 — CID 90119599

IUPACmethyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1c1ccccc1F
InChIInChI=1S/C24H18F3NO4/c1-31-21(29)14-28-22(19-4-2-3-5-20(19)27)24(32-23(28)30,15-6-10-17(25)11-7-15)16-8-12-18(26)13-9-16/h2-13,22H,14H2,1H3
InChIKeyGWTIFWMUUIMCMA-UHFFFAOYSA-N
MW441.41 g/mol
LogP4.71
Rot. Bonds5

About methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 90119599) has the molecular formula C24H18F3NO4 and a molecular weight of 441.41 g/mol. Its IUPAC name is methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID90119599
Molecular FormulaC24H18F3NO4
Molecular Weight441.41 g/mol
Exact Mass441.12
IUPAC Namemethyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCOC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1c1ccccc1F
InChIInChI=1S/C24H18F3NO4/c1-31-21(29)14-28-22(19-4-2-3-5-20(19)27)24(32-23(28)30,15-6-10-17(25)11-7-15)16-8-12-18(26)13-9-16/h2-13,22H,14H2,1H3
InChIKeyGWTIFWMUUIMCMA-UHFFFAOYSA-N
XLogP4.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 90119599) is methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is COC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1c1ccccc1F.
What is the InChIKey of methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is GWTIFWMUUIMCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO4/c1-31-21(29)14-28-22(19-4-2-3-5-20(19)27)24(32-23(28)30,15-6-10-17(25)11-7-15)16-8-12-18(26)13-9-16/h2-13,22H,14H2,1H3.
What are the key properties of methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 441.41 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-fluorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 90119599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).