2-(3-Methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
Basic information
- CAS
613651-15-3- Standard SMILES
Cc1cccc(-c2nc(C#N)c(N3CCCCC3)o2)c1- InChIKey
SMJAAYGEDFTORN-UHFFFAOYSA-N- Molecular formula
- C16H17N3O
- Average molar mass
- 267.33 g/mol
- Monoisotopic mass
- 267.13716217
Names & identifiers
- Preferred name
- 2-(3-Methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
- IUPAC
- 2-(3-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
Names & synonyms
613651-15-32-(3-methylphenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile2-(3-methylphenyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrileMLS001165058CHEMBL1387546DTXSID801322625HMS1590O17HMS2875B17STK896308AKOS002685921SMR000540256ST45182297
Show more names
SR-01000264860SR-01000264860-15-(piperidin-1-yl)-2-(m-tolyl)oxazole-4-carbonitrile2-(3-methylphenyl)-5-piperidyl-1,3-oxazole-4-carbonitrile
Database identifiers
- CAS
613651-15-3- PubChem CID
- 892497
- DTXSID
DTXSID801322625- ChEMBL
CHEMBL1387546
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility0.4 [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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