3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C15H19N3OS — CID 79608667

IUPAC3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(SCc2noc(CC3CCNCC3)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-2-4-13(5-3-1)20-11-14-17-15(19-18-14)10-12-6-8-16-9-7-12/h1-5,12,16H,6-11H2
InChIKeyBFYNZSPTLZPEKR-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.90
Rot. Bonds5

About 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 79608667) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID79608667
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1ccc(SCc2noc(CC3CCNCC3)n2)cc1
InChIInChI=1S/C15H19N3OS/c1-2-4-13(5-3-1)20-11-14-17-15(19-18-14)10-12-6-8-16-9-7-12/h1-5,12,16H,6-11H2
InChIKeyBFYNZSPTLZPEKR-UHFFFAOYSA-N
XLogP2.90
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 79608667) is 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is c1ccc(SCc2noc(CC3CCNCC3)n2)cc1.
What is the InChIKey of 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BFYNZSPTLZPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-4-13(5-3-1)20-11-14-17-15(19-18-14)10-12-6-8-16-9-7-12/h1-5,12,16H,6-11H2.
What are the key properties of 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 289.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylsulfanylmethyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79608667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).