chempirical

2-Benzoxazolamine

C7H6N2OCAS 4570-41-6134.14 g/mol

Open in Covalent MOL file
HNHNO

Properties

Molecular formula
C7H6N2O
Molar mass
134.14 g/mol
Exact mass
134.0480 Da
Melting point
129–130 °C
logP
1.24Crippen estimate
Polar surface area
52.8 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
4570-41-6
SMILES
N=c1[nH]c2ccccc2o1
InChIKey
JPBLHOJFMBOCAF-UHFFFAOYSA-N
InChI
InChI=1S/C7H6N2O/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)

Weigh it out

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

Names and synonyms

5 names
  • Benzoxazole, 2-amino-
  • 2-Aminobenzoxazole
  • NSC 26184
  • 1,3-Benzoxazol-2-amine
  • Benzo[d]oxazol-2-amine

Work with 2-Benzoxazolamine

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

Zoxazolamine61-80-353 % similar 2-Aminobenzimidazole934-32-741 % similar Cbzo1199616-66-438 % similar 9-Aminoacridine90-45-937 % similar 1H-Indazol-3-amine874-05-535 % similar 2-Aminobenzothiazole136-95-834 % similar 2-Aminoquinoline580-22-334 % similar 2-Amino-5-phenyl-1,3,4-oxadiazole1612-76-634 % 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 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 1,3-Dihydro-2H-pyrrolo[2,3-B]pyridin-2-one5654-97-7 2-Benzimidazolinone615-16-7 2-Methoxy-3-pyridinecarbonitrile7254-34-4

Elsewhere

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