2-(4-Nitrophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
Basic information
- CAS
201992-49-6- Standard SMILES
N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1N1CCCCC1- InChIKey
CRSVZYGPPGQECB-UHFFFAOYSA-N- Molecular formula
- C15H14N4O3
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.10659032
Names & identifiers
- Preferred name
- 2-(4-Nitrophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
- IUPAC
- 2-(4-nitrophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile
Names & synonyms
2-(4-nitrophenyl)-5-(piperidin-1-yl)-1,3-oxazole-4-carbonitrile2-(4-nitrophenyl)-5-piperidin-1-yl-1,3-oxazole-4-carbonitrile201992-49-6Oprea1_126770MLS001164847CHEMBL1894921DTXSID201319860HMS2855M05STK608468AKOS002686004AKOS005197702SMR000540178
Show more names
ST509990982-(4-nitrophenyl)-5-piperidyl-1,3-oxazole-4-carbonitrile2-(4-nitrophenyl)-5-(piperidin-1-yl)oxazole-4-carbonitrile
Database identifiers
- CAS
201992-49-6- PubChem CID
- 940141
- DTXSID
DTXSID201319860- ChEMBL
CHEMBL1894921
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Experimental & physicochemical properties
Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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