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

C26H20N2O5 — CID 58506468

IUPAC2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione
SMILESCC1(CN2C(=O)c3ccccc3C2=O)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C26H20N2O5/c1-26(16-27-22(30)19-14-8-9-15-20(19)23(27)31)25(32)33-24(18-12-6-3-7-13-18)28(26)21(29)17-10-4-2-5-11-17/h2-15,24H,16H2,1H3
InChIKeyIJMGZURPZIMIFT-UHFFFAOYSA-N
MW440.46 g/mol
LogP3.44
Rot. Bonds4

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

2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione (PubChem CID 58506468) has the molecular formula C26H20N2O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione
PubChem CID58506468
Molecular FormulaC26H20N2O5
Molecular Weight440.46 g/mol
Exact Mass440.14
IUPAC Name2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione
SMILESCC1(CN2C(=O)c3ccccc3C2=O)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1
InChIInChI=1S/C26H20N2O5/c1-26(16-27-22(30)19-14-8-9-15-20(19)23(27)31)25(32)33-24(18-12-6-3-7-13-18)28(26)21(29)17-10-4-2-5-11-17/h2-15,24H,16H2,1H3
InChIKeyIJMGZURPZIMIFT-UHFFFAOYSA-N
XLogP3.44
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

tert-butyl 2-[(2S,4R)-3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl]acetate
CID 134870526
(2R)-4-(iodomethyl)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylic acid
CID 175451639
benzyl (2S,4R)-4-benzyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 140762763
benzyl (2S,4S)-4-(iodomethyl)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 156678944
benzyl (2S,4R)-4-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 15719211
benzyl (2S,4R)-4-methyl-5-oxo-2-phenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 23626667
(2R,4S)-3-benzoyl-2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 7098741
(3-hydroxy-2,2-dimethylaziridin-1-yl)-phenylmethanone
CID 151500520
2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
CID 134916919
5-oxo-2,4-diphenyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylic acid
CID 69419771
(4S)-2,4-dimethyl-4-phenacylisoquinoline-1,3-dione
CID 139094558
2-[(3,3-dimethyloxiran-2-yl)methyl]isoindole-1,3-dione
CID 117064119

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione (CID 58506468) is 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione is CC1(CN2C(=O)c3ccccc3C2=O)C(=O)OC(c2ccccc2)N1C(=O)c1ccccc1.
What is the InChIKey of 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione?
The InChIKey is IJMGZURPZIMIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O5/c1-26(16-27-22(30)19-14-8-9-15-20(19)23(27)31)25(32)33-24(18-12-6-3-7-13-18)28(26)21(29)17-10-4-2-5-11-17/h2-15,24H,16H2,1H3.
What are the key properties of 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione?
2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione has a molecular weight of 440.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzoyl-4-methyl-5-oxo-2-phenyl-1,3-oxazolidin-4-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 58506468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).