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

C14H12N2O4 — CID 67724723

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione
SMILESCc1noc(C)c1COc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C14H12N2O4/c1-7-10(8(2)20-16-7)6-19-11-5-3-4-9-12(11)14(18)15-13(9)17/h3-5H,6H2,1-2H3,(H,15,17,18)
InChIKeyWTPVLHYMDFMHDL-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.75
Rot. Bonds3

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione (PubChem CID 67724723) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione
PubChem CID67724723
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione
SMILESCc1noc(C)c1COc1cccc2c1C(=O)NC2=O
InChIInChI=1S/C14H12N2O4/c1-7-10(8(2)20-16-7)6-19-11-5-3-4-9-12(11)14(18)15-13(9)17/h3-5H,6H2,1-2H3,(H,15,17,18)
InChIKeyWTPVLHYMDFMHDL-UHFFFAOYSA-N
XLogP1.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-fluoro-3-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 103988426
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazine
CID 168530523
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-methylmethanamine
CID 60881964
methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 117054172
2-phenylethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 55335080
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2,6-dimethoxybenzoate
CID 18074027
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 7654825
N-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 9465498
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575792
1-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-5-fluorophenyl]ethanone
CID 71628485
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoic acid
CID 16771438

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione (CID 67724723) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione is Cc1noc(C)c1COc1cccc2c1C(=O)NC2=O.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione?
The InChIKey is WTPVLHYMDFMHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-7-10(8(2)20-16-7)6-19-11-5-3-4-9-12(11)14(18)15-13(9)17/h3-5H,6H2,1-2H3,(H,15,17,18).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione has a molecular weight of 272.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]isoindole-1,3-dione is sourced from PubChem (CID 67724723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).