Isoxazole, 4-[(2-methoxyphenyl)azo]-3,5-dimethyl-
Basic information
- CAS
30081-92-6- Standard SMILES
COc1ccccc1N=Nc1c(C)noc1C- InChIKey
LGQVBDFWRLUZET-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- Isoxazole, 4-[(2-methoxyphenyl)azo]-3,5-dimethyl-
- IUPAC
- (3,5-dimethyl-1,2-oxazol-4-yl)-(2-methoxyphenyl)diazene
Names & synonyms
4-[(E)-(2-methoxyphenyl)diazenyl]-3,5-dimethyl-1,2-oxazole30081-92-6Isoxazole, 4-[(2-methoxyphenyl)azo]-3,5-dimethyl-MLS000767962CHEMBL1330671DTXSID20395788HMS2796G18STK915040AKOS001671505SMR000431284SR-01000083524SR-01000083524-1
Show more names
(3,5-Dimethyl-isoxazol-4-yl)-(2-methoxy-phenyl)-diazene(E)-4-((2-methoxyphenyl)diazenyl)-3,5-dimethylisoxazole4-[(2-methoxyphenyl)diazenyl]-3,5-dimethyl-1,2-oxazole
Database identifiers
- CAS
30081-92-6- PubChem CID
- 3740693
- DTXSID
DTXSID20395788- ChEMBL
CHEMBL1330671
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Experimental & physicochemical properties
Solubility4.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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