Ethyl oxazole-5-carboxylate

C6H7NO3CAS 118994-89-1141.13 g/mol

Open in Covalent MOL file
OONO
Ester

Properties

Molecular formula
C6H7NO3
Molar mass
141.13 g/mol
Exact mass
141.0426 Da
logP
0.85Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
118994-89-1
SMILES
CCOC(=O)C1=CN=CO1
InChIKey
KRMORCCAHXFIHF-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-7-4-10-5/h3-4H,2H2,1H3

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Names and synonyms

1 names
  • Ethyl 1,3-oxazole-5-carboxylate

Work with Ethyl 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

Diethyl 2,5-furandicarboxylate53662-83-256 % similar Ethyl 2-furoate1335-40-654 % similar Ethyl 2-furoate614-99-354 % similar Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-053 % similar Ethyl 2-chloro-1,3-oxazole-5-carboxylate862599-47-153 % similar Ethyl thiazole-5-carboxylate32955-22-950 % similar Ethyl imidazole-4-carboxylate23785-21-949 % similar Ethyl isonicotinate1570-45-249 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Isocyanatoethyl acrylate13641-96-8 N-(2-Hydroxyethyl)maleimide1585-90-6 3-Methyl-5-isoxazoleacetic acid 9819668-85-0 Methyl 5-methyl-3-isoxazolecarboxylate19788-35-3 Methyl 5-amino-2-furoate22600-30-2 Ethyl oxazole-4-carboxylate23012-14-8 3,5-Dimethyl-4-isoxazolecarboxylic acid2510-36-3 2,4-Dimethyl-1,3-oxazole-5-carboxylic acid2510-37-4

Elsewhere

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