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Substance Name: 5-Benzoxazoleacetonitrile, alpha-methyl-2-phenyl-
RN: 51234-25-4
InChIKey: YFOCIWCOHSRRKX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H12-N2-O

Molecular Weight

  • 248.2838
 
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Names and Synonyms

Synonyms

  • alpha-Methyl-2-phenyl-5-benzoxazoleacetonitrile
  • BRN 1081055

Systematic Name

  • 5-Benzoxazoleacetonitrile, alpha-methyl-2-phenyl-

Registry Numbers

CAS Registry Number

  • 51234-25-4

System Generated Number

  • 0051234254

Structure Descriptors

InChI

1S/C16H12N2O/c1-11(10-17)13-7-8-15-14(9-13)18-16(19-15)12-5-3-2-4-6-12/h2-9,11H,1H3

InChIKey

YFOCIWCOHSRRKX-UHFFFAOYSA-N

Smiles

CC(C#N)c1ccc2c(c1)nc(o2)c3ccccc3

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.