3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

C12H9ClFNO3 — CID 138660057

IUPAC3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(Cl)cc1F)N1CCOC1=O
InChIInChI=1S/C12H9ClFNO3/c13-9-3-1-8(10(14)7-9)2-4-11(16)15-5-6-18-12(15)17/h1-4,7H,5-6H2/b4-2+
InChIKeyYRZZPYRITXMLGW-DUXPYHPUSA-N
MW269.66 g/mol
LogP2.47
Rot. Bonds2

About 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one

3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (PubChem CID 138660057) has the molecular formula C12H9ClFNO3 and a molecular weight of 269.66 g/mol. Its IUPAC name is 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
PubChem CID138660057
Molecular FormulaC12H9ClFNO3
Molecular Weight269.66 g/mol
Exact Mass269.03
IUPAC Name3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
SMILESO=C(/C=C/c1ccc(Cl)cc1F)N1CCOC1=O
InChIInChI=1S/C12H9ClFNO3/c13-9-3-1-8(10(14)7-9)2-4-11(16)15-5-6-18-12(15)17/h1-4,7H,5-6H2/b4-2+
InChIKeyYRZZPYRITXMLGW-DUXPYHPUSA-N
XLogP2.47
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 142842409
4-(4-chloro-2-fluorophenyl)but-3-en-2-one
CID 67127595
[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-(3-chloro-4-fluorophenyl)prop-2-enoate
CID 8942774
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
ethyl (E)-3-(4-chloro-2-fluorophenyl)prop-2-enoate
CID 11009728
1-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 118679067
3-(4-fluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 141333748
5-[3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1H-pyridin-2-one
CID 66668329
(E)-3-(4-chloro-2-fluorophenyl)-1-(2-methyl-4-phenylpyrrolidin-1-yl)prop-2-en-1-one
CID 166749440

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one (CID 138660057) is 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is O=C(/C=C/c1ccc(Cl)cc1F)N1CCOC1=O.
What is the InChIKey of 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is YRZZPYRITXMLGW-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H9ClFNO3/c13-9-3-1-8(10(14)7-9)2-4-11(16)15-5-6-18-12(15)17/h1-4,7H,5-6H2/b4-2+.
What are the key properties of 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one?
3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 269.66 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-(4-chloro-2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 138660057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).