2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole

C11H13N5O — CID 28808843

IUPAC2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(N3CCNCC3)o2)ccn1
InChIInChI=1S/C11H13N5O/c1-3-12-4-2-9(1)10-14-15-11(17-10)16-7-5-13-6-8-16/h1-4,13H,5-8H2
InChIKeySGXMMTLTUVAFGI-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.54
Rot. Bonds2

About 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole

2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 28808843) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID28808843
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(N3CCNCC3)o2)ccn1
InChIInChI=1S/C11H13N5O/c1-3-12-4-2-9(1)10-14-15-11(17-10)16-7-5-13-6-8-16/h1-4,13H,5-8H2
InChIKeySGXMMTLTUVAFGI-UHFFFAOYSA-N
XLogP0.54
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-piperidin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole
CID 86112469
2-(4-methylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808850
2-(2,4-dimethylphenyl)-5-piperazin-1-yl-1,3,4-oxadiazole
CID 82483538
4-[5-(4-methylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]aniline
CID 28720191
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543
2-(2-phenylethyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 59454427
1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-amine
CID 139512553
4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]morpholine
CID 146568100
2-(2-methyl-4-piperazin-1-ylphenyl)-5-(4-piperazin-1-ylphenyl)-1,3,4-oxadiazole
CID 170665199
1-(azepan-1-yl)-3-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110330551
2-[(E)-2-(4-methylphenyl)ethenyl]-5-piperazin-1-yl-1,3,4-oxadiazole
CID 28808900
4,5-dimethyl-6-piperazin-1-yl-2-pyridin-4-ylpyrimidine
CID 82169374

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole (CID 28808843) is 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc(N3CCNCC3)o2)ccn1.
What is the InChIKey of 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is SGXMMTLTUVAFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-12-4-2-9(1)10-14-15-11(17-10)16-7-5-13-6-8-16/h1-4,13H,5-8H2.
What are the key properties of 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole?
2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 231.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 28808843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).