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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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)

Weigh it out

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

PubChem CAS Common Chemistry NIST WebBook