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

C20H23N3OS — CID 46891559

IUPAC2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc2c(Cc3nnc(SCCN4CCCCC4)o3)cccc2c1
InChIInChI=1S/C20H23N3OS/c1-4-11-23(12-5-1)13-14-25-20-22-21-19(24-20)15-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10H,1,4-5,11-15H2
InChIKeyFROFQENIHFCTIW-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.39
Rot. Bonds6

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

2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 46891559) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole
PubChem CID46891559
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole
SMILESc1ccc2c(Cc3nnc(SCCN4CCCCC4)o3)cccc2c1
InChIInChI=1S/C20H23N3OS/c1-4-11-23(12-5-1)13-14-25-20-22-21-19(24-20)15-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10H,1,4-5,11-15H2
InChIKeyFROFQENIHFCTIW-UHFFFAOYSA-N
XLogP4.39
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole (CID 46891559) is 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole is c1ccc2c(Cc3nnc(SCCN4CCCCC4)o3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is FROFQENIHFCTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-4-11-23(12-5-1)13-14-25-20-22-21-19(24-20)15-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10H,1,4-5,11-15H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole?
2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 353.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-5-(2-piperidin-1-ylethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 46891559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).