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

C25H20ClF2NO4 — CID 140687163

IUPACethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1c1ccccc1Cl
InChIInChI=1S/C25H20ClF2NO4/c1-2-32-22(30)15-29-23(20-5-3-4-6-21(20)26)25(33-24(29)31,16-7-11-18(27)12-8-16)17-9-13-19(28)14-10-17/h3-14,23H,2,15H2,1H3
InChIKeyRBKHTEBGPBTRSM-UHFFFAOYSA-N
MW471.89 g/mol
LogP5.62
Rot. Bonds6

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

ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 140687163) has the molecular formula C25H20ClF2NO4 and a molecular weight of 471.89 g/mol. Its IUPAC name is ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID140687163
Molecular FormulaC25H20ClF2NO4
Molecular Weight471.89 g/mol
Exact Mass471.10
IUPAC Nameethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1c1ccccc1Cl
InChIInChI=1S/C25H20ClF2NO4/c1-2-32-22(30)15-29-23(20-5-3-4-6-21(20)26)25(33-24(29)31,16-7-11-18(27)12-8-16)17-9-13-19(28)14-10-17/h3-14,23H,2,15H2,1H3
InChIKeyRBKHTEBGPBTRSM-UHFFFAOYSA-N
XLogP5.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.89
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 140687163) is ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)OC(c2ccc(F)cc2)(c2ccc(F)cc2)C1c1ccccc1Cl.
What is the InChIKey of ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is RBKHTEBGPBTRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2NO4/c1-2-32-22(30)15-29-23(20-5-3-4-6-21(20)26)25(33-24(29)31,16-7-11-18(27)12-8-16)17-9-13-19(28)14-10-17/h3-14,23H,2,15H2,1H3.
What are the key properties of ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 471.89 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-chlorophenyl)-5,5-bis(4-fluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 140687163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).