5-Amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester

C₅H₇N₃O₃CAS 4970-53-0157.13 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₅H₇N₃O₃
Molar mass: 157.13 g/mol
Exact mass: 157.0487 Da
logP: -0.17Crippen estimate
Polar surface area: 91.2 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin75% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage25% of notifiers
H319 Causes serious eye irritation75% of notifiers
H332 Harmful if inhaled75% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

4970-53-0

SMILES

CCOC(=O)C1=NN=C(O1)N

InChIKey

JZSBFOOEPYPCPW-UHFFFAOYSA-N

InChI

InChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)

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

Names and synonyms

1 names

Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate

Work with 5-Amino-1,3,4-oxadiazole-2-carboxylic acid ethyl ester

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-carboxylate113853-16-056 % similar Ethyl 2-amino-1,3-oxazole-4-carboxylate177760-52-053 % similar Ethyl 5-amino-1,3,4-thiadiazole-2-carboxylate64837-53-248 % similar Diethyl 2,5-furandicarboxylate53662-83-247 % similar Ethyl 3-aminobenzofuran-2-carboxylate39786-35-144 % similar Benzocaine94-09-744 % similar Ethyl 5-methylisoxazole-3-carboxylate3209-72-143 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 1-hydroxy-1H-1,2,3-triazole-4-carboxylate137156-41-3 2-Hydroxymethyl-1-methyl-5-nitroimidazole936-05-0

Elsewhere

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