5-Methyl-3,4-diphenyl-isoxazole

C₁₆H₁₃NOCAS 37928-17-9235.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₃NO
Molar mass: 235.29 g/mol
Exact mass: 235.0997 Da
logP: 4.32Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

37928-17-9

SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

ZXIRUKJWLADSJS-UHFFFAOYSA-N

InChI

InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3

Weigh it out

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

Names and synonyms

1 names

5-Methyl-3,4-diphenylisoxazole

Work with 5-Methyl-3,4-diphenyl-isoxazole

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

Valdecoxib181695-72-771 % similar 5-Methyl-3-phenylisoxazole-4-carboxylic acid1136-45-453 % similar 5-Methyl-3-phenylisoxazole-4-carbonyl chloride16883-16-253 % similar Parecoxib198470-84-752 % similar Parecoxib sodium198470-85-850 % similar 2-Bromo-1-(5-methyl-3-phenylisoxazol-4-yl)ethan-1-one104777-39-149 % similar 2,6-Dimethyl-3,5-diphenyl-4H-pyran-4-one33731-54-344 % similar 5-Methyl-3-phenyl-1,2,4-oxadiazole1198-98-740 % similar

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

Same formula

1-Benzyl-1H-indole-3-carbaldehyde10511-51-0 1-Methyl-2-phenyl-1H-indole-3-carboxaldehyde1757-72-8 3-Benzoyl-α-methylbenzeneacetonitrile42872-30-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook