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

C₉H₈N₂OCAS 1198-98-7160.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈N₂O
Molar mass: 160.18 g/mol
Exact mass: 160.0637 Da
logP: 2.05Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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 Tris-biphenyl triazine31274-51-843 % similar 2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine23449-08-341 % similar 5-Methyl-3,4-diphenyl-isoxazole37928-17-940 % 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

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 5-Amino-3-phenylisoxazole4369-55-5 2-Amino-8-hydroxyquinoline70125-16-5

Elsewhere

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