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

C9H9N3OCAS 31803-00-6175.19 g/mol

Open in Covalent MOL file
NNONH2
Primary amine

Properties

Molecular formula
C9H9N3O
Molar mass
175.19 g/mol
Exact mass
175.0746 Da
logP
1.24Crippen estimate
Polar surface area
64.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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