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92609-49-9 | Benzoxazole, methyl-
CAS No: 92609-49-9 Catalog No: AG006326 MDL No:
Product Description
Catalog Number:
AG006326
Chemical Name:
Benzoxazole, methyl-
CAS Number:
92609-49-9
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
IUPAC Name:
2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C8H7NO/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H3
InChI Key:
DQSHFKPKFISSNM-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)cccc2
EC Number:
202-399-9
UNII:
Z0P021V3TI
NSC Number:
3824
FEMA Number:
4398
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Hydrolytic instability of the important orexin 1 receptor antagonist SB-334867: possible confounding effects on in vivo and in vitro studies. | Bioorganic & medicinal chemistry letters 20121101 |
| 2-(1,3-Benzoxazol-2-yl)-1-phenyl-ethenyl benzoate. | Acta crystallographica. Section E, Structure reports online 20111001 |
| Diaryl urea analogues of SB-334867 as orexin-1 receptor antagonists. | Bioorganic & medicinal chemistry letters 20110515 |
| Oxazoles revisited: On the nature of binding of benzoxazole and 2-methylbenzoxazole with the zinc and palladium halides. | Dalton transactions (Cambridge, England : 2003) 20110221 |
| Oxidation products of sulfamethoxazole in ozonated secondary effluent. | Journal of hazardous materials 20100515 |
| Gas phase ion chemistry of the heterocyclic isomers 3-methyl-1,2-benzisoxazole and 2-methyl-1,3-benzoxazole. | Journal of the American Society for Mass Spectrometry 20040701 |
| Synthesis and biological evaluations of sulfa derivatives bearing heterocyclic moieties. | Bollettino chimico farmaceutico 20040101 |
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