Cas no 2039-49-8 (Isoxazole,3,5-diphenyl-)
Isoxazole,3,5-diphenyl- structure
Product Name:Isoxazole,3,5-diphenyl-
CAS No:2039-49-8
MF:C15H11NO
MW:221.253943681717
CID:279921
PubChem ID:137292
Update Time:2025-04-19
Isoxazole,3,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,3,5-diphenyl-
- 3,5-Diphenyl-1,2-oxazole
- 3,5-Diphenylisoxazole
- NSC5565
- Z56761407
- HECRDSFKLUVCAY-UHFFFAOYSA-N
- MLS000710535
- AKOS001033159
- 3,5-DIPHENYLOXAZOLE
- NCGC00245460-01
- SMR000280302
- CHEMBL1374535
- Isoxazole, 3,5-diphenyl-
- HECRDSFKLUVCAY-UHFFFAOYSA-
- AE-641/00642057
- 3,2-oxazole
- HMS2748I15
- Maybridge1_002053
- I+/-,I(3)-Diphenylisoxazol
- NSC-5565
- 3, 5-diphenyl-1, 2-oxazole
- Q63408632
- SCHEMBL1421260
- BRD-K56629496-001-09-6
- SR-01000636690-1
- 3,5-Diphenyl-isoxazole
- HMS547F07
- InChI=1/C15H11NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H
- CCG-47041
- 2039-49-8
- CBDivE_000727
- NSC 5565
- DTXSID30174324
- CS-0269886
-
- Inchi： 1S/C15H11NO/c1-3-7-12(8-4-1)14-11-15(17-16-14)13-9-5-2-6-10-13/h1-11H
- InChI Key： HECRDSFKLUVCAY-UHFFFAOYSA-N
- SMILES： O1C(=CC(C2C=CC=CC=2)=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
- LogP: 4.00860
Isoxazole,3,5-diphenyl- Related Literature
-
1. Thermal rearrangements of 3,5-diphenylisoxazoleGraham L. Aldous,John H. Bowie,Malcolm J. Thompson J. Chem. Soc. Perkin Trans. 1 1976 16
-
2. Isoxazoline derivatives. Part VI. Regioselectivity in the 1,3-dipolar cycloaddition of nitrile oxides to αβ-unsaturated ketonesGiorgio Bianchi,Carlo De Micheli,Remo Gandolfi,Paolo Grünanger,Paolo Vita Finzi,Orso Vajna de Pava J. Chem. Soc. Perkin Trans. 1 1973 1148
-
3. Index of subjects, 1976
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