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Substance Name: 5-Benzoxazoleacetonitrile, 2-(4-chlorophenyl)-alpha-methyl-
RN: 51234-36-7
InChIKey: RBGOLZYAUJDSGL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H11-Cl-N2-O

Molecular Weight

  • 282.729
 
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Names and Synonyms

Synonyms

  • 2-(4-Chlorophenyl)-alpha-methyl-5-benzoxazoleacetonitrile
  • BRN 1083408
  • EINECS 257-070-2

Systematic Names

  • 2-(4-Chlorophenyl)benzoxazole-5-propiononitrile
  • 5-Benzoxazoleacetonitrile, 2-(4-chlorophenyl)-alpha-methyl-

Registry Numbers

CAS Registry Number

  • 51234-36-7

System Generated Number

  • 0051234367

Structure Descriptors

InChI

1S/C16H11ClN2O/c1-10(9-18)12-4-7-15-14(8-12)19-16(20-15)11-2-5-13(17)6-3-11/h2-8,10H,1H3

InChIKey

RBGOLZYAUJDSGL-UHFFFAOYSA-N

Smiles

o1c(nc2c1ccc(c2)[C@@H](C#N)C)c1ccc(cc1)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1600mg/kg (1600mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 53, 1975.