Cas no 14677-22-6 (Isoxazole,4-methyl-5-phenyl-)
Isoxazole,4-methyl-5-phenyl- structure
Product Name:Isoxazole,4-methyl-5-phenyl-
CAS No:14677-22-6
MF:C10H9NO
MW:159.184562444687
CID:120574
PubChem ID:569957
Update Time:2025-04-18
Isoxazole,4-methyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole,4-methyl-5-phenyl-
- Isoxazole, 4-methyl-5-phenyl- (6CI,8CI,9CI)
- 14677-22-6
- 4-Methyl-5-phenylisoxazole
- Isoxazole, 4-methyl-5-phenyl-
- 4-methyl-5-phenyl-1,2-oxazole
- ZRJQHYLLYUTCBN-UHFFFAOYSA-N
- AKOS006284055
- SCHEMBL10166453
- 4-Methyl-5-phenylisoxazole #
-
- Inchi： 1S/C10H9NO/c1-8-7-11-12-10(8)9-5-3-2-4-6-9/h2-7H,1H3
- InChI Key： ZRJQHYLLYUTCBN-UHFFFAOYSA-N
- SMILES： O1C(=C(C=N1)C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 159.068413911g/mol
- Monoisotopic Mass: 159.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 143
- 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: 2.4
- Topological Polar Surface Area: 26?2
Isoxazole,4-methyl-5-phenyl- Related Literature
-
1. Reactions of 5-substituted 3-alkyl- and 3-aryl-isoxazoles with tetrasulfur tetranitride antimony pentachloride complex (S4N4·SbCl5): complete regioselective formation of 4-substituted 3-acyl- and 3-aroyl-1,2,5-thiadiazoles and their mechanism of formationKil-Joong Kim,Kyongtae Kim J. Chem. Soc. Perkin Trans. 1 1998 2175
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