chempirical

2-Chloromethyloxazole

C4H4ClNOCAS 185246-17-7117.53 g/mol

Open in Covalent MOL file
ONCl
Alkyl halide

Properties

Molecular formula
C4H4ClNO
Molar mass
117.53 g/mol
Exact mass
116.9981 Da
logP
1.41Crippen 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
185246-17-7
SMILES
C1=COC(=N1)CCl
InChIKey
NAOPGVBLRHCPHI-UHFFFAOYSA-N
InChI
InChI=1S/C4H4ClNO/c5-3-4-6-1-2-7-4/h1-2H,3H2

Weigh it out

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

Names and synonyms

1 names
  • 2-(Chloromethyl)-1,3-oxazole

Work with 2-Chloromethyloxazole

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-Oxazolemethanamine885331-17-954 % similar 5-tert-Butyl-2-(chloromethyl)oxazole224441-73-035 % similar 2-Chloromethylpyridine4377-33-733 % similar 3-(Chloromethyl)-1,2,4-oxadiazole51791-12-933 % similar 2-(Chloromethyl)pyrimidine hydrochloride936643-80-033 % similar 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole3914-42-932 % similar 2-(Tri-N-butylstannyl)oxazole145214-05-731 % similar 2-Chloro-4-(chloromethyl)pyridine101990-73-230 % similar

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

Elsewhere

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