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4345-46-4 | 3,5-dimethyl-4-phenyl-1,2-oxazole
CAS No: 4345-46-4 Catalog No: AG01BGDP MDL No:MFCD16301498
Product Description
Catalog Number:
AG01BGDP
Chemical Name:
3,5-dimethyl-4-phenyl-1,2-oxazole
CAS Number:
4345-46-4
MDL Number:
MFCD16301498
IUPAC Name:
3,5-dimethyl-4-phenyl-1,2-oxazole
InChI:
InChI=1S/C11H11NO/c1-8-11(9(2)13-12-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
BHAXDAUULXCVEK-UHFFFAOYSA-N
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Fragment-based discovery of bromodomain inhibitors part 2: optimization of phenylisoxazole sulfonamides. | Journal of medicinal chemistry 20120126 |
| 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands. | Journal of medicinal chemistry 20111013 |
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