3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole

C14H19N5O — CID 63343116

IUPAC3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(C)(c1noc(-c2cccnc2)n1)N1CCNCC1
InChIInChI=1S/C14H19N5O/c1-14(2,19-8-6-15-7-9-19)13-17-12(20-18-13)11-4-3-5-16-10-11/h3-5,10,15H,6-9H2,1-2H3
InChIKeyGOFPGNJATSOOSX-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.27
Rot. Bonds3

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

3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 63343116) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID63343116
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
SMILESCC(C)(c1noc(-c2cccnc2)n1)N1CCNCC1
InChIInChI=1S/C14H19N5O/c1-14(2,19-8-6-15-7-9-19)13-17-12(20-18-13)11-4-3-5-16-10-11/h3-5,10,15H,6-9H2,1-2H3
InChIKeyGOFPGNJATSOOSX-UHFFFAOYSA-N
XLogP1.27
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 103121926
3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 63343418
5-(3-piperazin-1-ylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole;dihydrochloride
CID 67345132
3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63343458
4-(2-piperazin-1-ylpropan-2-yl)-2-pyridin-3-yl-1,3-thiazole;N-(2,2,2-trifluoroethyl)formamide
CID 142065869
1-[(5-pyridin-3-yl-1-benzofuran-2-yl)methyl]piperazine
CID 24736268
2-piperazin-1-yl-2-pyridin-3-ylpropan-1-ol
CID 61053881
4-cyclopropyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342953
3-(2-piperidin-3-ylethyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 172909011
4-cyclopentyl-2-(2-piperazin-1-ylpropan-2-yl)pyrimidine
CID 63342955
N,2-dimethyl-2-piperazin-1-yl-N-pyridin-3-ylpropanamide
CID 80550063
3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 95907164

Frequently Asked Questions

What is the IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole (CID 63343116) is 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole is CC(C)(c1noc(-c2cccnc2)n1)N1CCNCC1.
What is the InChIKey of 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is GOFPGNJATSOOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-14(2,19-8-6-15-7-9-19)13-17-12(20-18-13)11-4-3-5-16-10-11/h3-5,10,15H,6-9H2,1-2H3.
What are the key properties of 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole?
3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63343116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).