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23572-06-7 | Methanone, phenyl(5-phenyl-1,2,4-oxadiazol-3-yl)-
CAS No: 23572-06-7 Catalog No: AG002NPJ MDL No:
Product Description
Catalog Number:
AG002NPJ
Chemical Name:
Methanone, phenyl(5-phenyl-1,2,4-oxadiazol-3-yl)-
CAS Number:
23572-06-7
Molecular Formula:
C15H10N2O2
Molecular Weight:
250.2521
IUPAC Name:
phenyl-(5-phenyl-1,2,4-oxadiazol-3-yl)methanone
InChI:
InChI=1S/C15H10N2O2/c18-13(11-7-3-1-4-8-11)14-16-15(19-17-14)12-9-5-2-6-10-12/h1-10H
InChI Key:
GYHABVOHCVLHTG-UHFFFAOYSA-N
SMILES:
O=C(c1noc(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.074g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.257g/mol
Monoisotopic Mass:
250.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Acid- and base-catalysis in the mononuclear rearrangement of some (Z)-arylhydrazones of 5-amino-3-benzoyl-1,2,4-oxadiazole in toluene: effect of substituents on the course of reaction. | The Journal of organic chemistry 20110415 |
| DFT modeling of reactivity in an ionic liquid: How many ion pairs? | Journal of computational chemistry 20080430 |
| Room temperature ionic liquids structure and its effect on the mononuclear rearrangement of heterocycles: an approach using thermodynamic parameters. | The Journal of organic chemistry 20061222 |
| Can the absence of solvation of neutral reagents by ionic liquids be responsible for the high reactivity in base-assisted intramolecular nucleophilic substitutions in these solvents? | The Journal of organic chemistry 20050401 |
| On the dichotomic behavior of the Z-2,4-dinitrophenylhydrazone of 5-amino-3-benzoyl-1,2,4-oxadiazole with acids in toluene and in dioxane/water: rearrangement versus hydrolysis. | The Journal of organic chemistry 20041210 |
| Host-guest interactions between beta-cyclodextrin and the (Z)-phenylhydrazone of 3-benzoyl-5-phenyl-1,2,4-oxadiazole: the first kinetic study of a ring-ring interconversion in a 'confined environment'. | The Journal of organic chemistry 20020503 |
| On the synthesis and reactivity of the Z-2,4-dinitrophenylhydrazone of 5-amino-3-benzoyl-1,2,4-oxadiazole. | The Journal of organic chemistry 20010907 |
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