Ethyl 2-chloro-1,3-oxazole-5-carboxylate

C₆H₆ClNO₃CAS 862599-47-1175.57 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₆H₆ClNO₃
Molar mass: 175.57 g/mol
Exact mass: 175.0036 Da
logP: 1.50Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

862599-47-1

SMILES

CCOC(=O)C1=CN=C(O1)Cl

InChIKey

ZFLDTEIDAGWEEI-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClNO3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3

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Work with Ethyl 2-chloro-1,3-oxazole-5-carboxylate

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

Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-064 % similar Diethyl 2,5-furandicarboxylate53662-83-256 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-454 % similar Ethyl oxazole-5-carboxylate118994-89-153 % similar Ethyl 5-(chloromethyl)-2-furancarboxylate2528-00-949 % similar Ethyl 6-chloronicotinate49608-01-749 % similar Ethyl 2-chloro-1,3-thiazole-5-carboxylate81449-93-649 % similar Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-148 % similar

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

Same formula

Methyl 2-(chloromethyl)oxazole-4-carboxylate208465-72-9 Ethyl 2-chlorooxazole-4-carboxylate460081-18-9

Elsewhere

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