[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate

C14H11ClFNO5 — CID 8942774

IUPAC[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(F)c(Cl)c1)OCC(=O)N1CCOC1=O
InChIInChI=1S/C14H11ClFNO5/c15-10-7-9(1-3-11(10)16)2-4-13(19)22-8-12(18)17-5-6-21-14(17)20/h1-4,7H,5-6,8H2/b4-2+
InChIKeyFVWNJXBYVASGFK-DUXPYHPUSA-N
MW327.69 g/mol
LogP2.01
Rot. Bonds4

About [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate (PubChem CID 8942774) has the molecular formula C14H11ClFNO5 and a molecular weight of 327.69 g/mol. Its IUPAC name is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
PubChem CID8942774
Molecular FormulaC14H11ClFNO5
Molecular Weight327.69 g/mol
Exact Mass327.03
IUPAC Name[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
SMILESO=C(/C=C/c1ccc(F)c(Cl)c1)OCC(=O)N1CCOC1=O
InChIInChI=1S/C14H11ClFNO5/c15-10-7-9(1-3-11(10)16)2-4-13(19)22-8-12(18)17-5-6-21-14(17)20/h1-4,7H,5-6,8H2/b4-2+
InChIKeyFVWNJXBYVASGFK-DUXPYHPUSA-N
XLogP2.01
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(2-fluorophenyl)prop-2-enoate
CID 8886777
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate
CID 8935026
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8888348
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7835235
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate
CID 7997083
3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 11242185
3-[3-(4-chlorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 72765876
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoate
CID 8881803
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 8882864
[2-(2-methylpropylamino)-2-oxoethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 7880700
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (E)-3-(3-chlorophenyl)prop-2-enoate
CID 7787148
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
CID 7623150

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate?
The IUPAC name of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate (CID 8942774) is [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate.
What is the SMILES notation for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate?
The canonical SMILES for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate is O=C(/C=C/c1ccc(F)c(Cl)c1)OCC(=O)N1CCOC1=O.
What is the InChIKey of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate?
The InChIKey is FVWNJXBYVASGFK-DUXPYHPUSA-N. The full InChI is InChI=1S/C14H11ClFNO5/c15-10-7-9(1-3-11(10)16)2-4-13(19)22-8-12(18)17-5-6-21-14(17)20/h1-4,7H,5-6,8H2/b4-2+.
What are the key properties of [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate?
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate has a molecular weight of 327.69 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(3-chloro-4-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 8942774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).