chempirical

Zoxazolamine

C7H5ClN2OCAS 61-80-3168.58 g/mol

Open in Covalent MOL file
HNHNClO
Aryl halide

Properties

Molecular formula
C7H5ClN2O
Molar mass
168.58 g/mol
Exact mass
168.0090 Da
Melting point
184.5 °C
logP
1.89Crippen estimate
Polar surface area
52.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
61-80-3
SMILES
N=c1[nH]c2cc(Cl)ccc2o1
InChIKey
YGCODSQDUUUKIV-UHFFFAOYSA-N
InChI
InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • 2-Benzoxazolamine, 5-chloro-
  • Benzoxazole, 2-amino-5-chloro-
  • 5-Chloro-2-benzoxazolamine
  • 2-Amino-5-chlorobenzoxazole
  • Flexin
  • McN-485
  • 5-Chloro-2-aminobenzoxazole
  • Zoxamin
  • Zoxine
  • Deflexol
  • Flexilon
  • NSC 24995
  • 5-Chloro-1,3-benzoxazol-2-amine
  • 5-Chlorobenzoxazol-2-amine
  • 5-Chlorobenzoxazol-2-ylamine
  • 5-Chlorobenzo[d]oxazol-2-amine

Work with Zoxazolamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Benzoxazolamine4570-41-653 % similar 2-Amino-5-chlorobenzimidazole5418-93-947 % similar 5-Chloro-2-benzothiazolamine20358-00-343 % similar 6-Chloro-1H-indazol-3-amine16889-21-741 % similar 2-Amino-6-chlorobenzothiazole95-24-939 % similar 2-Chloro-9H-carbazole10537-08-338 % similar 6-Chloroindole17422-33-236 % similar 4-Chloro-2-pyridinamine19798-80-235 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-2-methoxypyridine-3-carbonitrile1008451-56-6 5-Chloro-1,3-dihydro-2H-pyrrolo[3,2-B] pyridin-2-one136888-08-9 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-3

Elsewhere

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