Cas no 1420858-42-9 (Ethyl 4-(tert-butyl)oxazole-5-carboxylate)
1420858-42-9 structure
Product Name:Ethyl 4-(tert-butyl)oxazole-5-carboxylate
CAS No:1420858-42-9
MF:C10H15NO3
MW:197.231003046036
CID:2182614
Update Time:2023-08-06
Ethyl 4-(tert-butyl)oxazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 4-(tert-butyl)oxazole-5-carboxylate
- AM98974
-
- Inchi： 1S/C10H15NO3/c1-5-13-9(12)7-8(10(2,3)4)11-6-14-7/h6H,5H2,1-4H3
- InChI Key： JADBMBGVRSECNY-UHFFFAOYSA-N
- SMILES： O1C=NC(=C1C(=O)OCC)C(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 210
- Topological Polar Surface Area: 52.3
Ethyl 4-(tert-butyl)oxazole-5-carboxylate Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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