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

C6H6ClNO3CAS 862599-47-1175.57 g/mol

Open in Covalent MOL file
OONOCl
Aryl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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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-pyrimidine-5-carboxylic acid ethyl ester89793-12-454 % 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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