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113411-43-1 | Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-
CAS No: 113411-43-1 Catalog No: AG0008I7 MDL No:
Product Description
Catalog Number:
AG0008I7
Chemical Name:
Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-
CAS Number:
113411-43-1
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
IUPAC Name:
3-(1,5-dimethylpyrazol-3-yl)-5-methyl-1,2-oxazole
InChI:
InChI=1S/C9H11N3O/c1-6-4-8(10-12(6)3)9-5-7(2)13-11-9/h4-5H,1-3H3
InChI Key:
IDMVPLIFTRQSPG-UHFFFAOYSA-N
SMILES:
Cc1onc(c1)c1cc(n(n1)C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of new 3-(1-R-3(5)-methyl-4-nitroso-1H-5(3)-pyrazolyl)-5-methylisoxazoles. | Bioorganic & medicinal chemistry 20001201 |
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