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1750-42-1 | Isoxazol-3-amine
CAS No: 1750-42-1 Catalog No: AG00203J MDL No:MFCD00038814
Product Description
Catalog Number:
AG00203J
Chemical Name:
Isoxazol-3-amine
CAS Number:
1750-42-1
Molecular Formula:
C3H4N2O
Molecular Weight:
84.0767
MDL Number:
MFCD00038814
IUPAC Name:
1,2-oxazol-3-amine
InChI:
InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)
InChI Key:
RHFWLPWDOYJEAL-UHFFFAOYSA-N
SMILES:
Nc1ccon1
EC Number:
605-748-7
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
84.032g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
84.078g/mol
Monoisotopic Mass:
84.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Diaqua-bis-(5-methyl-1,2-oxazole-3-car-box-yl-ato-κN,O)cobalt(II) dihydrate. | Acta crystallographica. Section E, Structure reports online 20120101 |
| 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands. | Journal of medicinal chemistry 20111013 |
| Quantifying water-mediated protein-ligand interactions in a glutamate receptor: a DFT study. | The journal of physical chemistry. B 20110602 |
| A synthetic route to a novel type of conformationally constrained N-aryloxazolidinones. | Bioorganic & medicinal chemistry letters 20050516 |
| Biphenylsulfonamide endothelin receptor antagonists. 4. Discovery of N-[[2'-[[(4,5-dimethyl-3-isoxazolyl)amino]sulfonyl]-4-(2-oxazolyl)[1,1'-biphenyl]- 2-yl]methyl]-N,3,3-trimethylbutanamide (BMS-207940), a highly potent and orally active ET(A) selective antagonist. | Journal of medicinal chemistry 20030102 |
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