Cas no 87944-75-0 (1,2,4-Oxadiazole, 5-methyl-3-(3-methylphenyl)-)
87944-75-0 structure
Product Name:1,2,4-Oxadiazole, 5-methyl-3-(3-methylphenyl)-
CAS No:87944-75-0
MF:C10H10N2O
MW:174.199202060699
CID:650388
PubChem ID:583924
Update Time:2025-04-19
1,2,4-Oxadiazole, 5-methyl-3-(3-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Oxadiazole, 5-methyl-3-(3-methylphenyl)-
- 5-methyl-3-(3-methylphenyl)-1,2,4-oxadiazole
- SCHEMBL2090313
- DTXSID30342703
- DFUKNZYWDNICNG-UHFFFAOYSA-N
- 5-Methyl-3-(3-methylphenyl)-1,2,4-oxadiazole #
- 5-Methyl-3-m-tolyl-1,2,4-oxadiazole
- 87944-75-0
-
- Inchi： 1S/C10H10N2O/c1-7-4-3-5-9(6-7)10-11-8(2)13-12-10/h3-6H,1-2H3
- InChI Key： DFUKNZYWDNICNG-UHFFFAOYSA-N
- SMILES： O1C(C)=NC(C2=CC=CC(C)=C2)=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-(3-methylphenyl)- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
87944-75-0 (1,2,4-Oxadiazole, 5-methyl-3-(3-methylphenyl)-) Related Products
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