5-Chloro-2-methyl-6-benzoxazolamine

C₈H₇ClN₂OCAS 323579-00-6182.61 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₇ClN₂O
Molar mass: 182.61 g/mol
Exact mass: 182.0247 Da
logP: 2.37Crippen estimate
Polar surface area: 52.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

323579-00-6

SMILES

Cc1nc2cc(Cl)c(N)cc2o1

InChIKey

VZICVFYCZDSEFK-UHFFFAOYSA-N

InChI

InChI=1S/C8H7ClN2O/c1-4-11-7-2-5(9)6(10)3-8(7)12-4/h2-3H,10H2,1H3

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Names and synonyms

3 names

6-Benzoxazolamine, 5-chloro-2-methyl-
6-Amino-5-chloro-2-methylbenzoxazole
2-Methyl-5-chloro-6-benzoxazolamine

Work with 5-Chloro-2-methyl-6-benzoxazolamine

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

2,5,6-Trimethylbenzoxazole19219-98-851 % similar 5-Chloro-2-methylbenzoxazole19219-99-950 % similar 2-Methyl-1,3-benzoxazol-6-amine5676-60-850 % similar 2-Methylnaphth[2,3-d]oxazole20686-66-247 % similar 2,5-Dimethylbenzoxazole5676-58-445 % similar 2,5-Dichloro-1,4-benzenediamine20103-09-742 % similar 2-Chloro-5-methyl-1,4-benzenediamine5307-03-942 % similar 2-Methylbenzoxazole95-21-641 % similar

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

Same formula

2-Chloro-5-methoxy-1H-benzimidazole15965-54-5 7-Chloro-4-methoxy-1H-pyrrolo[2,3-C]pyridine446284-32-8

Elsewhere

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