5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride

C17H19Cl2N5O — CID 67345132

IUPAC5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1cncc(-c2noc(-c3cccc(N4CCNCC4)c3)n2)c1
InChIInChI=1S/C17H17N5O.2ClH/c1-3-13(11-15(5-1)22-9-7-18-8-10-22)17-20-16(21-23-17)14-4-2-6-19-12-14;;/h1-6,11-12,18H,7-10H2;2*1H
InChIKeyDVIJRMXITKHVPT-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.05
Rot. Bonds3

About 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride

5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride (PubChem CID 67345132) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride.

Molecular Properties

Compound Name5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
PubChem CID67345132
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC Name5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
SMILESCl.Cl.c1cncc(-c2noc(-c3cccc(N4CCNCC4)c3)n2)c1
InChIInChI=1S/C17H17N5O.2ClH/c1-3-13(11-15(5-1)22-9-7-18-8-10-22)17-20-16(21-23-17)14-4-2-6-19-12-14;;/h1-6,11-12,18H,7-10H2;2*1H
InChIKeyDVIJRMXITKHVPT-UHFFFAOYSA-N
XLogP3.05
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-pyridin-3-ylphenyl)piperazine
CID 150431219
3-pyridin-3-yl-5-[3-[(2R)-pyrrolidin-2-yl]phenyl]-1,2,4-oxadiazole
CID 67343124
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751
3-(3-piperidin-1-ylphenyl)pyridine
CID 166240155
4-chloro-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 175342274
3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 63343116
[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324869
2-amino-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 54924255
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
N-[2-methyl-5-[5-(3-piperazin-1-ylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71291286
2-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidine-1-carboxylic acid
CID 174600282
5-pyridin-3-yl-3-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 4916274

Frequently Asked Questions

What is the IUPAC name of 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride?
The IUPAC name of 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride (CID 67345132) is 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride.
What is the SMILES notation for 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride?
The canonical SMILES for 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride is Cl.Cl.c1cncc(-c2noc(-c3cccc(N4CCNCC4)c3)n2)c1.
What is the InChIKey of 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride?
The InChIKey is DVIJRMXITKHVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O.2ClH/c1-3-13(11-15(5-1)22-9-7-18-8-10-22)17-20-16(21-23-17)14-4-2-6-19-12-14;;/h1-6,11-12,18H,7-10H2;2*1H.
What are the key properties of 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride?
5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride has a molecular weight of 380.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride is sourced from PubChem (CID 67345132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).