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338794-76-6,MFCD00664788
Catalog No.:AA00IUL5
338794-76-6 | 3-[(2E)-3-[(4-methoxyphenyl)amino]prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
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1mg
>90%
3 weeks  
$150.00
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5mg
>90%
3 weeks  
$162.00
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10mg
>90%
3 weeks  
$185.00
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500mg
>90%
3 weeks  
$610.00
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1g
>90%
3 weeks  
$1,120.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00IUL5
Chemical Name:
3-[(2E)-3-[(4-methoxyphenyl)amino]prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CAS Number:
338794-76-6
Molecular Formula:
C18H16N4O4S
Molecular Weight:
384.4090
MDL Number:
MFCD00664788
IUPAC Name:
3-[(E)-3-(4-methoxyanilino)prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C18H16N4O4S/c1-11-15(17(24)21-18-20-9-10-27-18)16(22-26-11)14(23)7-8-19-12-3-5-13(25-2)6-4-12/h3-10,19H,1-2H3,(H,20,21,24)/b8-7+
InChI Key:
OIRWDROHFLLAJA-BQYQJAHWSA-N
SMILES:
COc1ccc(cc1)N/C=C/C(=O)c1noc(c1C(=O)Nc1nccs1)C
Properties
Computed Properties
 
Complexity:
554  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
384.089g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
384.41g/mol
Monoisotopic Mass:
384.089g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

Synonyms
 
3-[3-(4-methoxyanilino)acryloyl]-5-methyl-N-(1,3-thiazol-2-yl)-4-isoxazolecarboxamide 
338794-76-6 
CID5939854 
AC1NZR8K 
HMS574B15 
3-[(2E)-3-[(4-methoxyphenyl)amino]prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide 
AKOS005097558 
ZINC100363728 
6H-906 
3-[(E)-3-(4-methoxyanilino)prop-2-enoyl]-5-methyl-N-(1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide 
ZINC03049094 
Literature
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