Cas no 16112-24-6 (1,2,4-Oxadiazole, 5-(4-methylphenyl)-3-phenyl-)
16112-24-6 structure
Product Name:1,2,4-Oxadiazole, 5-(4-methylphenyl)-3-phenyl-
CAS No:16112-24-6
MF:C15H12N2O
MW:236.268583297729
CID:96377
PubChem ID:577305
Update Time:2025-04-18
1,2,4-Oxadiazole, 5-(4-methylphenyl)-3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Oxadiazole, 5-(4-methylphenyl)-3-phenyl-
- 5-(4-methylphenyl)-3-phenyl-1,2,4-oxadiazole
- Cambridge id 5929232
- QXOSABCPDHNIAL-UHFFFAOYSA-N
- 3-phenyl-5-(p-tolyl)-1,2,4-oxadiazole
- SMR000140819
- IDI1_020880
- SCHEMBL11549559
- DTXSID90341959
- 5-(4-Methylphenyl)-3-phenyl-1,2,4-oxadiazole #
- AB00101107-01
- SR-01000452127
- CHEMBL1451791
- MLS000533421
- ChemDiv3_001914
- SR-01000452127-1
- 16112-24-6
- HMS2174O17
- AKOS000265909
- HMS1478G22
- cid_577305
- BDBM48270
- CCG-17713
- BRD-K01479131-001-01-0
-
- Inchi： 1S/C15H12N2O/c1-11-7-9-13(10-8-11)15-16-14(17-18-15)12-5-3-2-4-6-12/h2-10H,1H3
- InChI Key： QXOSABCPDHNIAL-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(C)=CC=2)=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: 257
- 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-(4-methylphenyl)-3-phenyl- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
4. 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
-
Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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