Basic information
- CAS
613649-96-0- Standard SMILES
CCN1CCN(c2oc(-c3ccc([N+](=O)[O-])cc3)nc2C#N)CC1- InChIKey
KPLGOMFFVPYIQK-UHFFFAOYSA-N- Molecular formula
- C16H17N5O3
- Average molar mass
- 327.34 g/mol
- Monoisotopic mass
- 327.13313942
Names & identifiers
- Preferred name
- 5-(4-Ethylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
- IUPAC
- 5-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
Names & synonyms
5-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile613649-96-0MLS000769366CHEMBL1569882DTXSID601319862HMS2806M13STK515882AKOS002199492AKOS005197714NCGC00316804-01SMR000434100AB00662673-05
Show more names
Z579054375-(4-ethylpiperazin-1-yl)-2-(4-nitrophenyl)oxazole-4-carbonitrile5-(4-Ethyl-piperazin-1-yl)-2-(4-nitro-phenyl)-oxazole-4-carbonitrile
Database identifiers
- CAS
613649-96-0- PubChem CID
- 950322
- DTXSID
DTXSID601319862- ChEMBL
CHEMBL1569882
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 486
Experimental & physicochemical properties
Solubility4 [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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