5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

Base Information

• Chemical Name: 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile
• CAS No.: 613649-95-9
• Molecular Formula: C15H15N5O3
• Molecular Weight: 313.31
• DSSTox Substance ID: DTXSID901319861
• ChEMBL ID: CHEMBL1349768
• Mol file: 613649-95-9.mol

Synonyms:5-(4-methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile;Oprea1_486932;MLS000769130;CHEMBL1349768;DTXSID901319861;HMS2783C16;STK515883;AKOS002199514;AKOS005197713;NCGC00279090-01;613649-95-9;SMR000433864;AB00662787-06;Z57905438;5-(4-Methyl-piperazin-1-yl)-2-(4-nitro-phenyl)-oxazole-4-carbonitrile

Chemical Property of 5-(4-Methylpiperazin-1-yl)-2-(4-nitrophenyl)-1,3-oxazole-4-carbonitrile

Chemical Property:

• PKA: 6.76±0.42(Predicted)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 313.11748936
• Heavy Atom Count: 23
• Complexity: 471

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=C(N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C#N