Ethyl 2-chlorooxazole-4-carboxylate

C₆H₆ClNO₃CAS 460081-18-9175.57 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

460081-18-9

SMILES

CCOC(=O)C1=COC(=N1)Cl

InChIKey

SYWQOPRAPDMWMC-UHFFFAOYSA-N

InChI

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

Weigh it out

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Work with Ethyl 2-chlorooxazole-4-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-4-carboxylate177760-52-064 % similar Ethyl 2-bromo-1,3-oxazole-4-carboxylate460081-20-364 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-357 % similar Ethyl 2-(4'-hydroxyphenyl)-1,3-oxazole-4-carboxylate200400-76-654 % similar Ethyl 6-chloropicolinate21190-89-654 % similar Ethyl 2-chloro-1,3-thiazole-4-carboxylate41731-52-654 % similar Ethyl oxazole-4-carboxylate23012-14-853 % similar Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-150 % 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-chloro-1,3-oxazole-5-carboxylate862599-47-1

Elsewhere

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