5-tert-Butyl-2-(chloromethyl)oxazole

C8H12ClNOCAS 224441-73-0173.64 g/mol

Open in Covalent MOL file
NOCl
Alkyl halide

Properties

Molecular formula
C8H12ClNO
Molar mass
173.64 g/mol
Exact mass
173.0607 Da
logP
2.71Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
224441-73-0
SMILES
CC(C)(C)C1=CN=C(O1)CCl
InChIKey
LUGZUJZYTRPEDY-UHFFFAOYSA-N
InChI
InChI=1S/C8H12ClNO/c1-8(2,3)6-5-10-7(4-9)11-6/h5H,4H2,1-3H3

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Names and synonyms

1 names
  • 5-tert-Butyl-2-(chloromethyl)-1,3-oxazole

Work with 5-tert-Butyl-2-(chloromethyl)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

2-Chloromethyloxazole185246-17-735 % similar 5-(Trifluoromethyl)-2-(chloromethyl)-1,3,4-oxadiazole723286-98-435 % similar 4-tert-Butylbenzyl chloride19692-45-634 % similar 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole3914-42-934 % similar N-(5-(((5-(1,1-Dimethylethyl)-2-oxazolyl)methyl)thio)-2-thiazolyl)-4-piperidinecarboxamide345627-80-734 % similar tert-Butylpyrazine32741-11-031 % similar 2-Chloromethyl-5-(4-methylphenyl)-1,3,4-oxadiazole287197-95-931 % similar 5-(Chloromethyl)-2-(trifluoromethyl)pyridine386715-33-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Tyramine hydrochloride60-19-5

Elsewhere

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