ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate

C14H16F3NO4 — CID 2766902

IUPACethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)N(C)OC1(O)C(F)(F)F
InChIInChI=1S/C14H16F3NO4/c1-3-21-12(19)10-11(9-7-5-4-6-8-9)18(2)22-13(10,20)14(15,16)17/h4-8,10-11,20H,3H2,1-2H3
InChIKeyGLBJBXFOTOHOLE-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.03
Rot. Bonds3

About ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate

ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate (PubChem CID 2766902) has the molecular formula C14H16F3NO4 and a molecular weight of 319.28 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
PubChem CID2766902
Molecular FormulaC14H16F3NO4
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC Nameethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(c2ccccc2)N(C)OC1(O)C(F)(F)F
InChIInChI=1S/C14H16F3NO4/c1-3-21-12(19)10-11(9-7-5-4-6-8-9)18(2)22-13(10,20)14(15,16)17/h4-8,10-11,20H,3H2,1-2H3
InChIKeyGLBJBXFOTOHOLE-UHFFFAOYSA-N
XLogP2.03
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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 3-(dimethylamino)-2,2-difluoro-3-phenylpropanoate
CID 164675222
Ethyl 2,2-difluoro-3-[methoxy(methyl)amino]-3-phenylpropanoate
CID 164675462
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
[(3S,4R,5R)-2-methyl-3-phenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate
CID 58618256
(2S,3S)-2-(2,3-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine-3-carboxylic acid
CID 118515641

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate (CID 2766902) is ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate is CCOC(=O)C1C(c2ccccc2)N(C)OC1(O)C(F)(F)F.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The InChIKey is GLBJBXFOTOHOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4/c1-3-21-12(19)10-11(9-7-5-4-6-8-9)18(2)22-13(10,20)14(15,16)17/h4-8,10-11,20H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate has a molecular weight of 319.28 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 2766902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).