Basic information
- CAS
606947-98-2- Standard SMILES
Cc1ccc(OCc2nc(C#N)c(N3CCCCC3)o2)cc1- InChIKey
TYWPCYXXNXALQH-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2
- Average molar mass
- 297.35 g/mol
- Monoisotopic mass
- 297.14772686
Names & identifiers
- Preferred name
- 2-[(4-Methylphenoxy)methyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
- IUPAC
- 2-[(4-methylphenoxy)methyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
Names & synonyms
2-[(4-methylphenoxy)methyl]-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile2-[(4-methylphenoxy)methyl]-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile606947-98-2MLS000332713CHEMBL1374308DTXSID101322343HMS2802F18STL363294AKOS002688974SMR0004360255-Piperidin-1-yl-2-p-tolyloxymethyl-oxazole-4-carbonitrile5-(piperidin-1-yl)-2-((p-tolyloxy)methyl)oxazole-4-carbonitrile
Database identifiers
- CAS
606947-98-2- PubChem CID
- 950565
- DTXSID
DTXSID101322343- ChEMBL
CHEMBL1374308
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Experimental & physicochemical properties
Solubility4.9 [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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