Zoxazolamine

C₇H₅ClN₂OCAS 61-80-3168.58 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled42% of notifiers
H302 Harmful if swallowed98.6% of notifiers
H312 Harmful in contact with skin98.6% of notifiers
H315 Causes skin irritation98.6% of notifiers
H319 Causes serious eye irritation98.6% of notifiers
H332 Harmful if inhaled98.6% of notifiers
H335 May cause respiratory irritation98.6% of notifiers

Aggregated from 69 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 4-Chloroisatoic anhydride40928-13-039 % similar 2-Chloro-9H-carbazole10537-08-338 % similar 2,5-Dichlorobenzooxazole3621-81-637 % 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 6-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one220896-14-0 4-Chloro-1H-pyrrolo[2,3-B]pyridin-2(3H)-one346599-62-0 2-Chloro-4-methoxy-3-pyridinecarbonitrile98645-43-3

Elsewhere

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