2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C15H20N4OS — CID 52944348

IUPAC2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(SCCCN3CCCCC3)o2)ccn1
InChIInChI=1S/C15H20N4OS/c1-2-9-19(10-3-1)11-4-12-21-15-18-17-14(20-15)13-5-7-16-8-6-13/h5-8H,1-4,9-12H2
InChIKeyGYEWMVDUFBIODR-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.10
Rot. Bonds6

About 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 52944348) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID52944348
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1cc(-c2nnc(SCCCN3CCCCC3)o2)ccn1
InChIInChI=1S/C15H20N4OS/c1-2-9-19(10-3-1)11-4-12-21-15-18-17-14(20-15)13-5-7-16-8-6-13/h5-8H,1-4,9-12H2
InChIKeyGYEWMVDUFBIODR-UHFFFAOYSA-N
XLogP3.10
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 52944348) is 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is c1cc(-c2nnc(SCCCN3CCCCC3)o2)ccn1.
What is the InChIKey of 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is GYEWMVDUFBIODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-2-9-19(10-3-1)11-4-12-21-15-18-17-14(20-15)13-5-7-16-8-6-13/h5-8H,1-4,9-12H2.
What are the key properties of 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 304.42 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 52944348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).