3-(4-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

CAS Registry Number®

31399-84-5
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CAS Name

3-(4-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one

Molecular Formula

C12H14ClN3O2

Molecular Mass

267.71

Cite this Page

3-(4-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31399-84-5 (retrieved 2024-09-14) (CAS RN: 31399-84-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14ClN3O2/c1-12(2,3)10-15-16(11(17)18-10)9-5-4-7(14)6-8(9)13/h4-6H,14H2,1-3H3

InChIKey

InChIKey=VDVSMECTBFVDFQ-UHFFFAOYSA-N

SMILES

O=C1N(N=C(C(C)(C)C)O1)C2=C(Cl)C=C(N)C=C2

Canonical SMILES

O=C1OC(=NN1C2=CC=C(N)C=C2Cl)C(C)(C)C

Other Names for this Substance

  • 1,3,4-Oxadiazol-2(3H)-one, 3-(4-amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-
  • Δ2-1,3,4-Oxadiazolin-5-one, 4-(4-amino-2-chlorophenyl)-2-tert-butyl-
  • 3-(4-Amino-2-chlorophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one