2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

C18H13N3OS — CID 934473

IUPAC2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc2c(CSc3nnc(-c4ccncc4)o3)cccc2c1
InChIInChI=1S/C18H13N3OS/c1-2-7-16-13(4-1)5-3-6-15(16)12-23-18-21-20-17(22-18)14-8-10-19-11-9-14/h1-11H,12H2
InChIKeyQUIZQPCMYKLGMY-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.58
Rot. Bonds4

About 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole

2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 934473) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID934473
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc2c(CSc3nnc(-c4ccncc4)o3)cccc2c1
InChIInChI=1S/C18H13N3OS/c1-2-7-16-13(4-1)5-3-6-15(16)12-23-18-21-20-17(22-18)14-8-10-19-11-9-14/h1-11H,12H2
InChIKeyQUIZQPCMYKLGMY-UHFFFAOYSA-N
XLogP4.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-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 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 934473) is 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccc2c(CSc3nnc(-c4ccncc4)o3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is QUIZQPCMYKLGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-2-7-16-13(4-1)5-3-6-15(16)12-23-18-21-20-17(22-18)14-8-10-19-11-9-14/h1-11H,12H2.
What are the key properties of 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 319.39 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 934473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).