ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate

C20H20F3NO3 — CID 92859197

IUPACethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](c2ccccc2)N(C)O[C@@]1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H20F3NO3/c1-3-26-18(25)16-17(14-10-6-4-7-11-14)24(2)27-19(16,20(21,22)23)15-12-8-5-9-13-15/h4-13,16-17H,3H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyGBGLXQDOGHCYJD-ZHALLVOQSA-N
MW379.38 g/mol
LogP4.24
Rot. Bonds4

About ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate

ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate (PubChem CID 92859197) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
PubChem CID92859197
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Nameethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](c2ccccc2)N(C)O[C@@]1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H20F3NO3/c1-3-26-18(25)16-17(14-10-6-4-7-11-14)24(2)27-19(16,20(21,22)23)15-12-8-5-9-13-15/h4-13,16-17H,3H2,1-2H3/t16-,17-,19-/m1/s1
InChIKeyGBGLXQDOGHCYJD-ZHALLVOQSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate with MolForge

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Related Compounds

Ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)tetrahydro-4-isoxazolecarboxylate
CID 2766902
Ethyl 2-methyl-3,5-diphenyl-2,3-dihydro-4-isoxazolecarboxylate
CID 4999266
ethyl (3S,4R,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
CID 391367
(3S,4R,5R)-5-Hydroxy-2-methyl-3-phenyl-5-trifluoromethyl-isoxazolidine-4-carboxylic acid ethyl ester
CID 10892526
Ethyl 2-(diphenylmethyl)-3-[4-(trifluoromethyl)phenyl]isoxazolidine-4-carboxylate
CID 129842455
ethyl 2-[5-phenyl-1-[(E)-N-phenylmethoxy-C-(trifluoromethyl)carbonimidoyl]pyrrolidin-2-yl]propanoate
CID 162414088
Ethyl 2-methyl-3,5-diphenyl-5-(trifluoromethyl)-4-isoxazolidinecarboxylate
CID 496477
ethyl (3R,4S,5S)-5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-5-fluoro-2-methyl-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 11249661
ethyl (3S,4S,5S)-5-(5-chloro-1,1,2,2,3,3,4,4,5,5-decafluoropentyl)-5-fluoro-2-methyl-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 11466817
ethyl (3R,4S,5S)-5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-5-fluoro-2-methyl-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 101139281
ethyl (3S,4S,5S)-5-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-5-fluoro-2-methyl-3-phenyl-1,2-oxazolidine-4-carboxylate
CID 101139282
ethyl (2R,3S)-3-[bis(4-fluorophenyl)methoxy]-2-[(5S)-1,5-dimethylpyrrolidin-2-yl]butanoate
CID 71211525

Frequently Asked Questions

What is the IUPAC name of ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The IUPAC name of ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate (CID 92859197) is ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate is CCOC(=O)[C@H]1[C@@H](c2ccccc2)N(C)O[C@@]1(c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The InChIKey is GBGLXQDOGHCYJD-ZHALLVOQSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-3-26-18(25)16-17(14-10-6-4-7-11-14)24(2)27-19(16,20(21,22)23)15-12-8-5-9-13-15/h4-13,16-17H,3H2,1-2H3/t16-,17-,19-/m1/s1.
What are the key properties of ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate has a molecular weight of 379.38 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,4S,5S)-2-methyl-3,5-diphenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 92859197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).