Cas no 39962-28-2 (2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-isoindole-1,3(2H)-dione)
![2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-isoindole-1,3(2H)-dione structure](https://ossimg.kuujia.com/scimg/40000/39962-28-2x500.png)
39962-28-2 structure
Product Name:2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-isoindole-1,3(2H)-dione
CAS No:39962-28-2
MF:C14H12N2O3
MW:256.256683349609
CID:1511845
PubChem ID:135035
Update Time:2025-04-21
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-isoindole-1,3(2H)-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-isoindole-1,3(2H)-dione
- 1H-isoindole-1,3(2H)-dione, 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-
- 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]isoindole-1,3-dione
- SHPRUADECKZSMQ-UHFFFAOYSA-N
- Ro 7-8117
- UNII-BW49C59ULP
- 39962-28-2
- SMR000688699
- Z18271423
- 2-[(3,5-Dimethyl-4-isoxazolyl)methyl]-1H-isoindole-1,3(2H)-dione
- AKOS001137040
- 2-((3,5-Dimethyl-4-isoxazolyl)methyl)-1H-isoindole-1,3(2H)-dione
- 2-(3,5-Dimethyl-isoxazol-4-ylmethyl)-isoindole-1,3-dione
- Phthalimide, N-(3,5-dimethyl-4-isoxazolylmethyl)-
- 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1H-isoindole-1,3-dione
- CHEMBL1710671
- STL219876
- Ro7-8117
- MLS001150179
- DTXSID40193001
- N-3,5-Dimethyl-4-isoxazolyl-methyl phthalimide
- BW49C59ULP
- NCGC00247655-01
- SCHEMBL2204904
- N-(3,5-Dimethyl-4-isoxazolylmethyl)phthalimide
- 1H-Isoindole-1,3(2H)-dione, 2-((3,5-dimethyl-4-isoxazolyl)methyl)-
- HMS2978I17
-
- Inchi： 1S/C14H12N2O3/c1-8-12(9(2)19-15-8)7-16-13(17)10-5-3-4-6-11(10)14(16)18/h3-6H,7H2,1-2H3
- InChI Key： SHPRUADECKZSMQ-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)CN1C(C2C=CC=CC=2C1=O)=O
Computed Properties
- Exact Mass: 256.08486
- Monoisotopic Mass: 256.08479225g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 374
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 63.4?2
Experimental Properties
- PSA: 63.41
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1H-isoindole-1,3(2H)-dione Related Literature
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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