5-Benzyl-1,3,4-oxadiazol-2-ylamine

C₉H₉N₃OCAS 31803-00-6175.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₉N₃O
Molar mass: 175.19 g/mol
Exact mass: 175.0746 Da
logP: 1.24Crippen estimate
Polar surface area: 64.9 Å²
H-bond donors / acceptors: 1 / 4
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

31803-00-6

SMILES

C1=CC=C(C=C1)CC2=NN=C(O2)N

InChIKey

UEHXUDSFIIVUNO-UHFFFAOYSA-N

InChI

InChI=1S/C9H9N3O/c10-9-12-11-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)

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Names and synonyms

1 names

5-Benzyl-1,3,4-oxadiazol-2-amine

Work with 5-Benzyl-1,3,4-oxadiazol-2-ylamine

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

Diphenylmethane101-81-542 % similar 4-Benzylaniline1135-12-242 % similar 2-Benzylaniline28059-64-539 % similar 4-Benzylpyridine2116-65-639 % similar Benzenamine, 4-(phenylmethyl)-, hydrochloride (1:1)6317-57-338 % similar 5-Benzyl-1H-tetrazole18489-25-336 % similar P-Benzylbiphenyl613-42-335 % similar 2-(Phenylmethyl)pyridine101-82-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(1-Phenyl-1H-1,2,3-triazol-4-yl)methanol103755-58-4 2-Methyl-3-amino-4-quinazolone1898-06-2 3-Amino-1-phenyl-2-pyrazolin-5-one4149-06-8

Elsewhere

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