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945531-77-1 | 5-(Ethylsulfonyl)-2-(naphthalen-2-yl)benzo[D] oxazole
CAS No: 945531-77-1 Catalog No: AG01E9J0 MDL No:
Product Description
Catalog Number:
AG01E9J0
Chemical Name:
5-(Ethylsulfonyl)-2-(naphthalen-2-yl)benzo[D] oxazole
CAS Number:
945531-77-1
Molecular Formula:
C19H15NO3S
Molecular Weight:
337.3923
IUPAC Name:
5-ethylsulfonyl-2-naphthalen-2-yl-1,3-benzoxazole
InChI:
InChI=1S/C19H15NO3S/c1-2-24(21,22)16-9-10-18-17(12-16)20-19(23-18)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,2H2,1H3
InChI Key:
KSGCNXAZROJSNW-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc2c(c1)nc(o2)c1ccc2c(c1)cccc2
UNII:
645R07LF0D
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.077g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.393g/mol
Monoisotopic Mass:
337.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Discovery of 2-arylbenzoxazoles as upregulators of utrophin production for the treatment of Duchenne muscular dystrophy. | Journal of medicinal chemistry 20110512 |
| Importance of the aromatic ring in adrenergic amines. 2. Synthesis and adrenergic activity of some nonaromatic six- and eight-membered ring analogs of beta-phenylethanolamine. | Journal of medicinal chemistry 19760101 |
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