5-Amino-3-phenylisoxazole

C9H8N2OCAS 4369-55-5160.18 g/mol

Open in Covalent MOL file
NONH2
Primary amine

Properties

Molecular formula
C9H8N2O
Molar mass
160.18 g/mol
Exact mass
160.0637 Da
logP
1.92Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 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
4369-55-5
SMILES
C1=CC=C(C=C1)C2=NOC(=C2)N
InChIKey
HLOHVVZZMMMDMM-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,10H2

Weigh it out

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

Work with 5-Amino-3-phenylisoxazole

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

3-Phenyl-5-isoxazolecarboxylic acid14442-12-746 % similar 4,6-Diphenylpyrimidin-2-amine40230-24-845 % similar 5-Amino-3-methylisoxazole14678-02-543 % similar 5-(Bromoacetyl)-3-phenylisoxazole14731-14-743 % similar 6-Phenyl-3-pyridinamine126370-67-038 % similar 2,6-Diphenylpyridine3558-69-838 % similar 5-Amino-1-methyl-3-phenylpyrazole10199-50-538 % similar 1,3-Diphenyl-1H-pyrazol-5-amine5356-71-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-(1H-Imidazol-1-yl)phenol10041-02-8 4-(Oxazol-5-yl)aniline1008-95-3 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-7 1-Methyl-2-formylbenzimidazole3012-80-4 N-(4-Cyanophenyl)acetamide35704-19-9 1-Methyl-1H-indazole-3-carboxaldehyde4002-83-9 2-Amino-4-hydroxyquinoline42712-64-1 2-Amino-8-hydroxyquinoline70125-16-5

Elsewhere

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