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

C13H10N2O3 — CID 789333

IUPAC2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
SMILESCc1cc(CN2C(=O)c3ccccc3C2=O)on1
InChIInChI=1S/C13H10N2O3/c1-8-6-9(18-14-8)7-15-12(16)10-4-2-3-5-11(10)13(15)17/h2-6H,7H2,1H3
InChIKeyQIYFGEMGNIUUCL-UHFFFAOYSA-N
MW242.23 g/mol
LogP1.78
Rot. Bonds2

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

2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione (PubChem CID 789333) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
PubChem CID789333
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
SMILESCc1cc(CN2C(=O)c3ccccc3C2=O)on1
InChIInChI=1S/C13H10N2O3/c1-8-6-9(18-14-8)7-15-12(16)10-4-2-3-5-11(10)13(15)17/h2-6H,7H2,1H3
InChIKeyQIYFGEMGNIUUCL-UHFFFAOYSA-N
XLogP1.78
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
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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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione (CID 789333) is 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione is Cc1cc(CN2C(=O)c3ccccc3C2=O)on1.
What is the InChIKey of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione?
The InChIKey is QIYFGEMGNIUUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-8-6-9(18-14-8)7-15-12(16)10-4-2-3-5-11(10)13(15)17/h2-6H,7H2,1H3.
What are the key properties of 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione?
2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione has a molecular weight of 242.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 789333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).