Cas no 54494-10-9 (1,2,4-Oxadiazole, 5-(3-methylphenyl)-3-phenyl-)
54494-10-9 structure
Product Name:1,2,4-Oxadiazole, 5-(3-methylphenyl)-3-phenyl-
CAS No:54494-10-9
MF:C15H12N2O
MW:236.268583297729
CID:354449
PubChem ID:577306
Update Time:2025-04-19
1,2,4-Oxadiazole, 5-(3-methylphenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Oxadiazole, 5-(3-methylphenyl)-3-phenyl-
- 5-(3-methylphenyl)-3-phenyl-1,2,4-oxadiazole
- AKOS003816698
- 54494-10-9
- 5-(3-Methylphenyl)-3-phenyl-1,2,4-oxadiazole #
- DTXSID00341960
- DAUYEEDADHUVRJ-UHFFFAOYSA-N
- CHEMBL3964321
-
- Inchi： 1S/C15H12N2O/c1-11-6-5-9-13(10-11)15-16-14(17-18-15)12-7-3-2-4-8-12/h2-10H,1H3
- InChI Key： DAUYEEDADHUVRJ-UHFFFAOYSA-N
- SMILES： O1C(C2=CC=CC(C)=C2)=NC(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 236.09506
- Monoisotopic Mass: 236.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 4
- Topological Polar Surface Area: 38.9?2
Experimental Properties
- PSA: 38.92
1,2,4-Oxadiazole, 5-(3-methylphenyl)-3-phenyl- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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