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Home Other Building Blocks 5-Methylisoxazole

5-Methylisoxazole

CAS No.:
5765-44-6
Catalog Number:
AG0034AV
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$144
- +
25g
95%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG0034AV
Chemical Name:
5-Methylisoxazole
CAS Number:
5765-44-6
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD00003152
IUPAC Name:
5-methyl-1,2-oxazole
InChI:
InChI=1S/C4H5NO/c1-4-2-3-5-6-4/h2-3H,1H3
InChI Key:
AGQOIYCTCOEHGR-UHFFFAOYSA-N
SMILES:
Cc1ccno1
EC Number:
227-289-8
UNII:
YC2P4IBF1E
NSC Number:
52269
Properties
Complexity:
46.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
83.037g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
83.09g/mol
Monoisotopic Mass:
83.037g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Novel bioactivation mechanism of reactive metabolite formation from phenyl methyl-isoxazoles. Drug metabolism and disposition: the biological fate of chemicals 20121101
Design and Microwave-assisted Synthesis of 1,3,4-Oxadiazole Derivatives for Analgesic and Anti-inflammatory Activity. Journal of young pharmacists : JYP 20120101
Synthesis and biological evaluation of 3-heterocyclyl-7,8,9,10-tetrahydro-(7,10-ethano)-1,2,4-triazolo[3,4-a]phthalazines and analogues as subtype-selective inverse agonists for the GABA(A)alpha5 benzodiazepine binding site. Journal of medicinal chemistry 20040701
Properties