2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-YL]aniline
Basic information
- CAS
58589-02-9- Standard SMILES
Cc1ccc(-c2noc(-c3ccccc3N)n2)cc1- InChIKey
JALBXPKLIIMPHW-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-YL]aniline
- IUPAC
- 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
- English name
- 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
- Molecular formula
- C15H13N3O
- Molecular weight
- 251.28
Names & synonyms
58589-02-92-[3-(4-METHYLPHENYL)-1,2,4-OXADIAZOL-5-YL]ANILINE2-(3-(p-Tolyl)-1,2,4-oxadiazol-5-yl)anilineMFCD086918512-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]aniline2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenylamineCHEMBL4125855DTXSID90482957SBB076542AKOS005135979NS-03741DB-302770
Show more names
Benzenamine, 2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline(SALTDATA: FREE)
CS-0322879ST45238258F3157512-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl ]anilineZ111495914
Database identifiers
- CAS
58589-02-9- PubChem CID
- 12262467
- DTXSID
DTXSID90482957- ChEMBL
CHEMBL4125855- Nikkaji
- J3.037.501G
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 291
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P302+P352-P304+P340-P305+P351+P338
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Related reactions
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Compound notes
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