Cas no 89263-89-8 (Isoxazole, 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-)
89263-89-8 structure
Product Name:Isoxazole, 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-
CAS No:89263-89-8
MF:C17H15NO3
MW:281.305904626846
CID:606254
PubChem ID:71323191
Update Time:2025-04-19
Isoxazole, 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-
- 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)-1,2-oxazole
- 89263-89-8
- 3-(2-Methoxyphenyl)-5-(4-methoxyphenyl)isoxazole
- DTXSID10752801
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- Inchi： 1S/C17H15NO3/c1-19-13-9-7-12(8-10-13)17-11-15(18-21-17)14-5-3-4-6-16(14)20-2/h3-11H,1-2H3
- InChI Key： BZHBDGBLLSDSLA-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC=CC=2OC)=N1)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 281.10519334g/mol
- Monoisotopic Mass: 281.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 317
- 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: 3.6
- Topological Polar Surface Area: 44.5?2
Isoxazole, 3-(2-methoxyphenyl)-5-(4-methoxyphenyl)- Related Literature
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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