chempirical

1,3-Benzoxazol-6-amine

C7H6N2OCAS 177492-52-3134.14 g/mol

Open in Covalent MOL file
H2NON
Primary amine

Properties

Molecular formula
C7H6N2O
Molar mass
134.14 g/mol
Exact mass
134.0480 Da
logP
1.41Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
177492-52-3
SMILES
C1=CC2=C(C=C1N)OC=N2
InChIKey
ZJYIRVSPPOOPCL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,8H2

Weigh it out

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

Work with 1,3-Benzoxazol-6-amine

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

Benzoxazole273-53-048 % similar 5-Aminobenzimidazole934-22-545 % similar 5-Methylbenzoxazole10531-78-941 % similar 5-Bromo-benzooxazole132244-31-641 % similar 5-Chlorobenzoxazole17200-29-241 % similar 6-Benzothiazolamine533-30-241 % similar 6-Aminoquinoline580-15-441 % similar 5-Benzothiazolamine1123-93-937 % similar

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

Same formula

1H-Pyrrolo[3,2-c]pyridin-2(3H)-one134682-54-5 1H-Indazol-5-ol15579-15-4 2-Methoxy-5-pyridinecarbonitrile15871-85-9 1H-Indazol-6-ol23244-88-4 1,3-Dihydro-2H-pyrrolo[3,2-B]pyridin-2-one32501-05-6 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-4 2-Benzoxazolamine4570-41-6 1,3-Dihydro-2H-pyrrolo[2,3-B]pyridin-2-one5654-97-7

Elsewhere

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