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

C15H18F3NO5 — CID 2766901

IUPACethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc(OC)cc2)N(C)OC1(O)C(F)(F)F
InChIInChI=1S/C15H18F3NO5/c1-4-23-13(20)11-12(9-5-7-10(22-3)8-6-9)19(2)24-14(11,21)15(16,17)18/h5-8,11-12,21H,4H2,1-3H3
InChIKeyZDDQDAHTCZZNHC-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.04
Rot. Bonds4

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

ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate (PubChem CID 2766901) has the molecular formula C15H18F3NO5 and a molecular weight of 349.31 g/mol. Its IUPAC name is ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
PubChem CID2766901
Molecular FormulaC15H18F3NO5
Molecular Weight349.31 g/mol
Exact Mass349.11
IUPAC Nameethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate
SMILESCCOC(=O)C1C(c2ccc(OC)cc2)N(C)OC1(O)C(F)(F)F
InChIInChI=1S/C15H18F3NO5/c1-4-23-13(20)11-12(9-5-7-10(22-3)8-6-9)19(2)24-14(11,21)15(16,17)18/h5-8,11-12,21H,4H2,1-3H3
InChIKeyZDDQDAHTCZZNHC-UHFFFAOYSA-N
XLogP2.04
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-Methoxyphenyl)-2-methyl-4-methylidene-1,2-oxazolidin-5-one
CID 44408646
[(2S,3R)-3-(2-fluoroethyl)-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl] acetate
CID 70441203
2,5-dimethyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid
CID 89157493
5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid
CID 89158088
ethyl (3S)-3-(3-fluoro-4-methoxyphenyl)-3-[2-(hydroxymethyl)hept-6-enoylamino]propanoate
CID 139453462
3-(3-Fluoro-4-methoxyphenyl)-3-(2-methylpyrrolidin-1-yl)propanoic acid
CID 142348233
Ethyl 3-(4-ethoxyphenyl)-3-[2-[4-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]propanoate
CID 170431737
Ethyl 3-(4-methylphenyl)-3-[2-[4-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]propanoate
CID 170431780
Methyl 2-methyl-3-phenyl-3-[2-[4-(trifluoromethoxy)phenyl]pyrrolidin-1-yl]propanoate
CID 170432851
Ethyl 3-(3-fluoro-4-methoxyphenyl)-3-[2-(hydroxymethyl)hept-6-enoylamino]propanoate
CID 175235531
1-[2,2,2-Trifluoro-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 175836967
2-[5-Oxo-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-2-yl]acetic acid
CID 175838345

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate (CID 2766901) is ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate is CCOC(=O)C1C(c2ccc(OC)cc2)N(C)OC1(O)C(F)(F)F.
What is the InChIKey of ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
The InChIKey is ZDDQDAHTCZZNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO5/c1-4-23-13(20)11-12(9-5-7-10(22-3)8-6-9)19(2)24-14(11,21)15(16,17)18/h5-8,11-12,21H,4H2,1-3H3.
What are the key properties of ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate?
ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate has a molecular weight of 349.31 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-3-(4-methoxyphenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidine-4-carboxylate is sourced from PubChem (CID 2766901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).