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30842-90-1 | ISOXAZOLE, 3-METHYL-
CAS No: 30842-90-1 Catalog No: AG0031H8 MDL No:MFCD00020814
Product Description
Catalog Number:
AG0031H8
Chemical Name:
ISOXAZOLE, 3-METHYL-
CAS Number:
30842-90-1
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD00020814
IUPAC Name:
3-methyl-1,2-oxazole
InChI:
InChI=1S/C4H5NO/c1-4-2-3-6-5-4/h2-3H,1H3
InChI Key:
CUMCMYMKECWGHO-UHFFFAOYSA-N
SMILES:
Cc1ccon1
UNII:
P8WZL93LEO
NSC Number:
52270
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:
0.8
Literature
| Title | Journal |
|---|---|
| New analogues of epiboxidine incorporating the 4,5-dihydroisoxazole nucleus: synthesis, binding affinity at neuronal nicotinic acetylcholine receptors, and molecular modeling investigations. | Chemistry & biodiversity 20090201 |
| Potential nicotinic acetylcholine receptor ligands from 2,4-methanoproline derivatives. | Journal of medicinal chemistry 20081113 |
| catena-Poly[bis-(sulfamethoxazolium) [[trichloridocadmate(II)]-μ-chlorido] monohydrate]. | Acta crystallographica. Section E, Structure reports online 20080101 |
| In vitro metabolism of leflunomide by mouse and human liver microsomes. | Drug metabolism letters 20071201 |
| Novel [(biphenyloxy)propyl]isoxazole derivatives for inhibition of human rhinovirus 2 and coxsackievirus B3 replication. | The Journal of antimicrobial chemotherapy 20050401 |
| 7-substituted 2-azabicyclo[2.2.1]heptanes as key intermediates for the synthesis of novel epibatidine analogues; synthesis of syn-and anti-isoepiboxidine. | The Journal of organic chemistry 20040806 |
| Homoepiboxidines: further potent agonists for nicotinic receptors. | Bioorganic & medicinal chemistry 20040102 |
| Liquid chromatography-mass spectrometry and liquid chromatography-NMR characterization of in vitro metabolites of a potent and irreversible peptidomimetic inhibitor of rhinovirus 3C protease. | Drug metabolism and disposition: the biological fate of chemicals 20010501 |
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