Cas no 185333-60-2 (Ethyl 4-benzoyl-5-(propan-2-yl)-1,2-oxazole-3-carboxylate)
185333-60-2 structure
Product Name:Ethyl 4-benzoyl-5-(propan-2-yl)-1,2-oxazole-3-carboxylate
CAS No:185333-60-2
MF:C16H17NO4
MW:287.310484647751
CID:2784954
Update Time:2023-08-07
Ethyl 4-benzoyl-5-(propan-2-yl)-1,2-oxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- Ethyl 4-benzoyl-5-isopropylisoxazole-3-carboxylate
- Ethyl 4-benzoyl-5-(propan-2-yl)-1,2-oxazole-3-carboxylate
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- Inchi： 1S/C16H17NO4/c1-4-20-16(19)13-12(15(10(2)3)21-17-13)14(18)11-8-6-5-7-9-11/h5-10H,4H2,1-3H3
- InChI Key： UPHANHKGRDBVBV-UHFFFAOYSA-N
- SMILES： O1C(=C(C(C2C=CC=CC=2)=O)C(C(=O)OCC)=N1)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 377
- XLogP3: 3.4
- Topological Polar Surface Area: 69.4
Ethyl 4-benzoyl-5-(propan-2-yl)-1,2-oxazole-3-carboxylate Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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