Ethyl 2-chlorooxazole-4-carboxylate

C6H6ClNO3CAS 460081-18-9175.57 g/mol

Open in Covalent MOL file
OOONCl
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 4 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
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

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

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

PubChem CAS Common Chemistry NIST WebBook