2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione

C13H10N2O3 — CID 118727406

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione
SMILESCc1noc(C)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H10N2O3/c1-7-11(8(2)18-14-7)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6H,1-2H3
InChIKeyQNIJEBFITQCFAR-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.09
Rot. Bonds1

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione

2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione (PubChem CID 118727406) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione
PubChem CID118727406
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione
SMILESCc1noc(C)c1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H10N2O3/c1-7-11(8(2)18-14-7)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6H,1-2H3
InChIKeyQNIJEBFITQCFAR-UHFFFAOYSA-N
XLogP2.09
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.09
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

2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
CID 567023
4-[2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]phenyl]-3,5-dimethyl-1,2-oxazole
CID 91804006
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-(2-methoxy-6-methylphenyl)isoindole-1,3-dione
CID 622512
2-[6-(1,3-dioxoisoindol-2-yl)-2-pyridinyl]isoindole-1,3-dione
CID 555038
(3,5-dimethyl-1,2-oxazol-4-yl)methyl (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylsulfanylpropanoate
CID 8933462
2-(3,5-dimethyl-1,2-oxazol-4-yl)benzoic acid
CID 15354514
2-(4-bromo-2-chloro-6-methylphenyl)isoindole-1,3-dione
CID 168516145
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
2-(3-methyl-2-pyridinyl)isoindole-1,3-dione
CID 10609961
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 3336690
2-[[(1R)-1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)ethyl]amino]acetonitrile
CID 170343884

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione (CID 118727406) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione is Cc1noc(C)c1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione?
The InChIKey is QNIJEBFITQCFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-7-11(8(2)18-14-7)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione?
2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione has a molecular weight of 242.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)isoindole-1,3-dione is sourced from PubChem (CID 118727406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).