Cas no 82123-42-0 (2,5-Dimethyl-1,3-oxazole-4-carbonitrile)
82123-42-0 structure
Product Name:2,5-Dimethyl-1,3-oxazole-4-carbonitrile
CAS No:82123-42-0
MF:C6H6N2O
MW:122.12464094162
CID:2803362
PubChem ID:14147478
Update Time:2025-04-21
2,5-Dimethyl-1,3-oxazole-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- DTXSID20556594
- 2,5-Dimethyloxazole-4-carbonitrile
- 4-Oxazolecarbonitrile, 2,5-dimethyl-
- SCHEMBL12179246
- DTXCID90507376
- 2,5-Dimethyl-1,3-oxazole-4-carbonitrile
- 82123-42-0
-
- Inchi： 1S/C6H6N2O/c1-4-6(3-7)8-5(2)9-4/h1-2H3
- InChI Key： UHRTYUGYLBQVFQ-UHFFFAOYSA-N
- SMILES： O1C(C)=NC(C#N)=C1C
Computed Properties
- Exact Mass: 122.048012819g/mol
- Monoisotopic Mass: 122.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 148
- 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: 1.2
- Topological Polar Surface Area: 49.8?2
2,5-Dimethyl-1,3-oxazole-4-carbonitrile Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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