2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione

C12H8N2O3 — CID 567023

IUPAC2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)no1
InChIInChI=1S/C12H8N2O3/c1-7-6-10(13-17-7)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-6H,1H3
InChIKeyMEPXCSBNWRSVLX-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.78
Rot. Bonds1

About 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione

2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione (PubChem CID 567023) has the molecular formula C12H8N2O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
PubChem CID567023
Molecular FormulaC12H8N2O3
Molecular Weight228.21 g/mol
Exact Mass228.05
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
SMILESCc1cc(N2C(=O)c3ccccc3C2=O)no1
InChIInChI=1S/C12H8N2O3/c1-7-6-10(13-17-7)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-6H,1H3
InChIKeyMEPXCSBNWRSVLX-UHFFFAOYSA-N
XLogP1.78
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Soretolide
CID 198730
4-tert-butyl-N-(5-methyl-3-isoxazolyl)benzamide
CID 670749
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 884750
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylphenyl)acetamide
CID 889538
4-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 2292954
N-(5-methyl-1,2-oxazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
CID 670727
1H-2-Benzothiopyran-3-carboxamide, N-(5-methyl-3-isoxazolyl)-1-oxo-
CID 699992
3-fluoro-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 807780
2-(3-methylbutyl)-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 977141
2-cyclohexyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1331098

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione (CID 567023) is 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione is Cc1cc(N2C(=O)c3ccccc3C2=O)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
The InChIKey is MEPXCSBNWRSVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3/c1-7-6-10(13-17-7)14-11(15)8-4-2-3-5-9(8)12(14)16/h2-6H,1H3.
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione?
2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione has a molecular weight of 228.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 567023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).