Cas no 14677-21-5 (Isoxazole,4,5-diphenyl-)
Isoxazole,4,5-diphenyl- structure
Product Name:Isoxazole,4,5-diphenyl-
CAS No:14677-21-5
MF:C15H11NO
MW:221.253943681717
CID:214758
PubChem ID:291189
Update Time:2025-04-19
Isoxazole,4,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,5-diphenyl-1,2-oxazole
- 4,5-Diphenylisoxazole
- Isoxazole,4,5-diphenyl-
- (4,5-diphenyl)isoxazole
- 4,5-Diphenyl-isoxazol
- 4,5-diphenyl-isoxazole
- AC1L6FAX
- AC1Q4YK6
- CTK4C5098
- NSC156142
- SureCN739660
- 14677-21-5
- PHHYPNOXXPWYII-UHFFFAOYSA-N
- InChI=1/C15H11NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-11
- NSC-156142
- SCHEMBL739660
- 4,5-Diphenylisoxazole #
- DTXSID60303024
- Isoxazole, 4,5-diphenyl-
-
- Inchi： 1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-11H
- InChI Key： PHHYPNOXXPWYII-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)=C(C=N1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 221.08413
- Monoisotopic Mass: 221.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 3.7
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Isoxazole,4,5-diphenyl- Related Literature
-
1. Heterocyclic rearrangements. Synthesis and reactivity of oximes of some 3-acylisoxazoles. A reinvestigationNicolò Vivona,Gabriella Macaluso,Vincenzo Frenna J. Chem. Soc. Perkin Trans. 1 1983 483
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