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Home Nitriles 5-Amino-3-methylisoxazole-4-carbonitrile

5-Amino-3-methylisoxazole-4-carbonitrile

CAS No.:
35261-01-9
Catalog Number:
AG007DY1
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$47
- +
1g
95%
In Stock USA
United States
$84
- +
5g
95%
In Stock USA
United States
$262
- +
25g
95%
In Stock USA
United States
$1030
- +
Product Description
Catalog Number:
AG007DY1
Chemical Name:
5-Amino-3-methylisoxazole-4-carbonitrile
CAS Number:
35261-01-9
Molecular Formula:
C5H5N3O
Molecular Weight:
123.1127
MDL Number:
MFCD00027378
IUPAC Name:
5-amino-3-methyl-1,2-oxazole-4-carbonitrile
InChI:
InChI=1S/C5H5N3O/c1-3-4(2-6)5(7)9-8-3/h7H2,1H3
InChI Key:
HWUGKLXAHRZZPN-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)onc1C
NSC Number:
202613
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.043g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
123.115g/mol
Monoisotopic Mass:
123.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
5-Amino-3-methyl-1,2-oxazole-4-carbonitrile. Acta crystallographica. Section E, Structure reports online 20120801
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties