Cas no 89060-94-6 (4,4'-Biisoxazole, 3,3'-dimethyl-5,5'-diphenyl-)
89060-94-6 structure
Product Name:4,4'-Biisoxazole, 3,3'-dimethyl-5,5'-diphenyl-
CAS No:89060-94-6
MF:C20H16N2O2
MW:316.353244781494
CID:613791
PubChem ID:12366460
Update Time:2025-04-19
4,4'-Biisoxazole, 3,3'-dimethyl-5,5'-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,4'-Biisoxazole, 3,3'-dimethyl-5,5'-diphenyl-
- 3-methyl-4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-5-phenyl-1,2-oxazole
- 3,3'-Dimethyl-5,5'-diphenyl-4,4'-bi-1,2-oxazole
- 89060-94-6
- DTXSID50494516
-
- Inchi: 1S/C20H16N2O2/c1-13-17(19(23-21-13)15-9-5-3-6-10-15)18-14(2)22-24-20(18)16-11-7-4-8-12-16/h3-12H,1-2H3
- InChI Key: UKAJHJSLZSCGAV-UHFFFAOYSA-N
- SMILES: O1C(C2C=CC=CC=2)=C(C(C)=N1)C1C(C)=NOC=1C1C=CC=CC=1
Computed Properties
- Exact Mass: 316.121177757g/mol
- Monoisotopic Mass: 316.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 368
- 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: 4.6
- Topological Polar Surface Area: 52.1?2
4,4'-Biisoxazole, 3,3'-dimethyl-5,5'-diphenyl- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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