Cas no 87944-74-9 (1,2,4-Oxadiazole, 5-methyl-3-(2-methylphenyl)-)
87944-74-9 structure
Product Name:1,2,4-Oxadiazole, 5-methyl-3-(2-methylphenyl)-
CAS No:87944-74-9
MF:C10H10N2O
MW:174.199202060699
CID:650389
PubChem ID:583422
Update Time:2025-04-19
1,2,4-Oxadiazole, 5-methyl-3-(2-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Oxadiazole, 5-methyl-3-(2-methylphenyl)-
- 5-methyl-3-(2-methylphenyl)-1,2,4-oxadiazole
- 87944-74-9
- PUZWJLNWJUOMPG-UHFFFAOYSA-N
- 5-Methyl-3-o-tolyl-1,2,4-oxadiazole
- SCHEMBL12660084
- DTXSID10342625
- 5-Methyl-3-(2-methylphenyl)-1,2,4-oxadiazole #
-
- Inchi： 1S/C10H10N2O/c1-7-5-3-4-6-9(7)10-11-8(2)13-12-10/h3-6H,1-2H3
- InChI Key： PUZWJLNWJUOMPG-UHFFFAOYSA-N
- SMILES： O1C(C)=NC(C2C=CC=CC=2C)=N1
Computed Properties
- Exact Mass: 174.079312947g/mol
- Monoisotopic Mass: 174.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 174
- 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: 2.7
- Topological Polar Surface Area: 38.9?2
1,2,4-Oxadiazole, 5-methyl-3-(2-methylphenyl)- Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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