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3-(1-Ethyl-5-methyl-1h-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid

CAS No.:
957258-38-7
Catalog Number:
AG005YD0
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
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Product Description
Catalog Number:
AG005YD0
Chemical Name:
3-(1-Ethyl-5-methyl-1h-pyrazol-4-yl)-4,5-dihydroisoxazole-5-carboxylic acid
CAS Number:
957258-38-7
Molecular Formula:
C10H13N3O3
Molecular Weight:
223.2285
MDL Number:
MFCD06805568
IUPAC Name:
3-(1-ethyl-5-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
InChI:
InChI=1S/C10H13N3O3/c1-3-13-6(2)7(5-11-13)8-4-9(10(14)15)16-12-8/h5,9H,3-4H2,1-2H3,(H,14,15)
InChI Key:
KOPFOJBRIDCQKG-UHFFFAOYSA-N
SMILES:
Cc1c(cnn1CC)C1=NOC(C1)C(=O)O
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.096g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.232g/mol
Monoisotopic Mass:
223.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties