ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate

C20H17F4NO4 — CID 90134544

IUPACethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H17F4NO4/c1-2-28-16(26)11-25-17(12-6-8-15(21)9-7-12)18(29-19(25)27)13-4-3-5-14(10-13)20(22,23)24/h3-10,17-18H,2,11H2,1H3/t17-,18+/m1/s1
InChIKeyGDKSAHVNUWPRRT-MSOLQXFVSA-N
MW411.35 g/mol
LogP4.64
Rot. Bonds5

About ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate

ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate (PubChem CID 90134544) has the molecular formula C20H17F4NO4 and a molecular weight of 411.35 g/mol. Its IUPAC name is ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate
PubChem CID90134544
Molecular FormulaC20H17F4NO4
Molecular Weight411.35 g/mol
Exact Mass411.11
IUPAC Nameethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H17F4NO4/c1-2-28-16(26)11-25-17(12-6-8-15(21)9-7-12)18(29-19(25)27)13-4-3-5-14(10-13)20(22,23)24/h3-10,17-18H,2,11H2,1H3/t17-,18+/m1/s1
InChIKeyGDKSAHVNUWPRRT-MSOLQXFVSA-N
XLogP4.64
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate (CID 90134544) is ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)O[C@@H](c2cccc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1.
What is the InChIKey of ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate?
The InChIKey is GDKSAHVNUWPRRT-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H17F4NO4/c1-2-28-16(26)11-25-17(12-6-8-15(21)9-7-12)18(29-19(25)27)13-4-3-5-14(10-13)20(22,23)24/h3-10,17-18H,2,11H2,1H3/t17-,18+/m1/s1.
What are the key properties of ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate?
ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate has a molecular weight of 411.35 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R,5S)-4-(4-fluorophenyl)-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 90134544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).