Cas no 42812-93-1 (1-(3,5-diphenyl-1,2-oxazol-4-yl)ethanone)
42812-93-1 structure
Product Name:1-(3,5-diphenyl-1,2-oxazol-4-yl)ethanone
CAS No:42812-93-1
MF:C17H13NO2
MW:263.290624380112
CID:928465
PubChem ID:318535
Update Time:2025-04-19
1-(3,5-diphenyl-1,2-oxazol-4-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,5-diphenyl-1,2-oxazol-4-yl)ethanone
- 1-(3,5-diphenyl-isoxazol-4-yl)-ethanone
- 3,5-diphenyl-4-acetylisoxazole
- 4-Acetyl-3,5-diphenyloxazol
- AC1L7YBO
- NSC255241
- NSC-255241
- DTXSID50312483
- 42812-93-1
-
- Inchi： 1S/C17H13NO2/c1-12(19)15-16(13-8-4-2-5-9-13)18-20-17(15)14-10-6-3-7-11-14/h2-11H,1H3
- InChI Key： UTZSDGZGAHALQA-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C(C(C)=O)C(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 263.09469
- Monoisotopic Mass: 263.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 332
- 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: 3.4
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.1
- LogP: 4.21120
1-(3,5-diphenyl-1,2-oxazol-4-yl)ethanone Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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