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

C14H14F3NO4 — CID 54281327

IUPACethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate
SMILESCCOC(=O)CC1OCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H14F3NO4/c1-2-21-12(19)7-11-13(20)18(8-22-11)10-5-3-4-9(6-10)14(15,16)17/h3-6,11H,2,7-8H2,1H3
InChIKeyRQZHIRLKIODWLT-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.35
Rot. Bonds4

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

ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate (PubChem CID 54281327) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate
PubChem CID54281327
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Nameethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate
SMILESCCOC(=O)CC1OCN(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C14H14F3NO4/c1-2-21-12(19)7-11-13(20)18(8-22-11)10-5-3-4-9(6-10)14(15,16)17/h3-6,11H,2,7-8H2,1H3
InChIKeyRQZHIRLKIODWLT-UHFFFAOYSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-oxo-1-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylate
CID 43866569
Ethyl 3-[[3-(trifluoromethyl)phenyl]carbamoyl]oxirane-2-carboxylate
CID 13150802
[2-Oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] pentanoate
CID 19707993
[(3R)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 53779309
2-[3-[4-Fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetic acid
CID 54282191
2-Methylbut-3-en-2-yl 4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxylate
CID 54500593
[(3S)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 57078889
2-[3-[4-Fluoro-3-(trifluoromethyl)phenyl]-4-oxo-1,3-oxazolidin-5-yl]acetyl chloride
CID 57102164
2-Oxo-1-(3-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid ethyl ester
CID 57429662
(R)-2-acetoxy-2-((R)-4-(3,5-bis(trifluoromethyl)phenyl)-3-oxomorpholin-2-yl)acetic acid
CID 58181384
(R)-2-acetoxy-2-((R)-3-oxo-4-(4-(trifluoromethyl)phenyl)morpholin-2-yl)acetic acid
CID 58181429
(R)-tert-butyl 2-acetoxy-2-((R)-3-oxo-4-(4-(trifluoromethyl)phenyl)morpholin-2-yl)acetate
CID 58181659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate?
The IUPAC name of ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate (CID 54281327) is ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate?
The canonical SMILES for ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate is CCOC(=O)CC1OCN(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate?
The InChIKey is RQZHIRLKIODWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4/c1-2-21-12(19)7-11-13(20)18(8-22-11)10-5-3-4-9(6-10)14(15,16)17/h3-6,11H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate?
ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate has a molecular weight of 317.26 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]acetate is sourced from PubChem (CID 54281327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).