5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole

C14H19N5O — CID 56686520

IUPAC5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccnc(N3CCNCC3)c2)n1
InChIInChI=1S/C14H19N5O/c1-2-3-12-17-14(20-18-12)11-4-5-16-13(10-11)19-8-6-15-7-9-19/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyLBTGXDSFTYZVBL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.49
Rot. Bonds4

About 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole

5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole (PubChem CID 56686520) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole
PubChem CID56686520
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2ccnc(N3CCNCC3)c2)n1
InChIInChI=1S/C14H19N5O/c1-2-3-12-17-14(20-18-12)11-4-5-16-13(10-11)19-8-6-15-7-9-19/h4-5,10,15H,2-3,6-9H2,1H3
InChIKeyLBTGXDSFTYZVBL-UHFFFAOYSA-N
XLogP1.49
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole (CID 56686520) is 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2ccnc(N3CCNCC3)c2)n1.
What is the InChIKey of 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is LBTGXDSFTYZVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-2-3-12-17-14(20-18-12)11-4-5-16-13(10-11)19-8-6-15-7-9-19/h4-5,10,15H,2-3,6-9H2,1H3.
What are the key properties of 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole?
5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 273.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperazin-1-yl-4-pyridinyl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 56686520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).