chempirical

5-Methyl-3-phenyl-1,2,4-oxadiazole

C9H8N2OCAS 1198-98-7160.18 g/mol

Open in Covalent MOL file
NNO

Properties

Molecular formula
C9H8N2O
Molar mass
160.18 g/mol
Exact mass
160.0637 Da
logP
2.05Crippen estimate
Polar surface area
38.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1198-98-7
SMILES
CC1=NC(=NO1)C2=CC=CC=C2
InChIKey
VRRLZUXQTZOCKJ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8N2O/c1-7-10-9(11-12-7)8-5-3-2-4-6-8/h2-6H,1H3

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Names and synonyms

1 names
  • Phenylmethyloxadiazole

Work with 5-Methyl-3-phenyl-1,2,4-oxadiazole

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

2,4,6-Triphenyl-1,3,5-triazine493-77-646 % similar Oxolamine959-14-845 % similar 2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-843 % similar 2-Methyl-5-phenylbenzoxazole61931-68-839 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-339 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-539 % similar 2-(3,5-Dibromophenyl)-4,6-diphenyl-1,3,5-triazine1073062-59-538 % similar 2,6-Diphenylpyridine3558-69-838 % 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 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

Elsewhere

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