2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

C20H15FN2O5 — CID 22447471

IUPAC2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
SMILESCC(=O)c1ccc(N2CC(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1F
InChIInChI=1S/C20H15FN2O5/c1-11(24)14-7-6-12(8-17(14)21)22-9-13(28-20(22)27)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-8,13H,9-10H2,1H3
InChIKeyWHIKSMXUAPUTSQ-UHFFFAOYSA-N
MW382.35 g/mol
LogP2.65
Rot. Bonds4

About 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione

2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (PubChem CID 22447471) has the molecular formula C20H15FN2O5 and a molecular weight of 382.35 g/mol. Its IUPAC name is 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
PubChem CID22447471
Molecular FormulaC20H15FN2O5
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
SMILESCC(=O)c1ccc(N2CC(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1F
InChIInChI=1S/C20H15FN2O5/c1-11(24)14-7-6-12(8-17(14)21)22-9-13(28-20(22)27)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-8,13H,9-10H2,1H3
InChIKeyWHIKSMXUAPUTSQ-UHFFFAOYSA-N
XLogP2.65
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

N-[[(5R)-3-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10348392
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
2-[[(5S)-3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 58721924
[(5R)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 154776170
(5S)-5-(aminomethyl)-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;(5S)-5-ethyl-3-(3-fluoro-4-iodophenyl)-1,3-oxazolidin-2-one;2-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 158402090
2-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 59410776
5-[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazin-1-yl]furan-2-carbaldehyde
CID 11620561
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
2-fluoro-4-[(5S)-2-oxo-5-(2-oxopropyl)-1,3-oxazolidin-3-yl]benzohydrazide
CID 59905865
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzamide
CID 22966198
tert-butyl N-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]carbamate
CID 69256652
tert-butyl N-[[4-[4-[(5S)-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methyl]-N-(3-fluoropropyl)carbamate
CID 58721932

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione (CID 22447471) is 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is CC(=O)c1ccc(N2CC(CN3C(=O)c4ccccc4C3=O)OC2=O)cc1F.
What is the InChIKey of 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is WHIKSMXUAPUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O5/c1-11(24)14-7-6-12(8-17(14)21)22-9-13(28-20(22)27)10-23-18(25)15-4-2-3-5-16(15)19(23)26/h2-8,13H,9-10H2,1H3.
What are the key properties of 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione?
2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 382.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 22447471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).