chempirical

5-(3-Chlorophenyl)oxazole

C9H6ClNOCAS 89808-76-4179.60 g/mol

Open in Covalent MOL file
ClNO
Aryl halide

Properties

Molecular formula
C9H6ClNO
Molar mass
179.60 g/mol
Exact mass
179.0138 Da
logP
3.00Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
89808-76-4
SMILES
C1=CC(=CC(=C1)Cl)C2=CN=CO2
InChIKey
NJVHPUNGYNOCQN-UHFFFAOYSA-N
InChI
InChI=1S/C9H6ClNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H

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Work with 5-(3-Chlorophenyl)oxazole

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

4-(Oxazol-5-yl)aniline1008-95-346 % similar 5-(4-Fluorophenyl)oxazole128101-19-946 % similar 3-Chlorobiphenyl2051-61-845 % similar 5-(3-Chlorophenyl)-2-furancarboxaldehyde22078-59-743 % similar 2-(3'-Chlorobiphenyl-3-yl)-4,6-diphenyl-1,3,5-triazine1443049-83-941 % similar 3-Bromo-3′-chloro-1,1′-biphenyl844856-42-440 % similar 5-(3-Chlorophenyl)-2-furancarboxylic acid41019-44-740 % similar 2-Chloro-4-(3-chlorophenyl)-6-phenyl-1,3,5-triazine2125473-29-039 % similar

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

Same formula

5-Chloro-8-hydroxyquinoline130-16-5 3-(3-Chlorophenyl)-3-oxopropanenitrile21667-62-9 8-Chloroquinolin-2(1H)-one23981-25-1 2-Chloro-β-oxobenzenepropanenitrile40018-25-5 4-Chlorobenzoylacetonitrile4640-66-8 2-Chloro-1H-indole-3-carbaldehyde5059-30-3 6-Chloroindole-3-carboxaldehyde703-82-2 5-Chloroindole-3-carboxaldehyde827-01-0

Elsewhere

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