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

C14H11N3OS — CID 2195556

IUPAC5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(SCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H11N3OS/c1-2-6-11(7-3-1)19-10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyJGISSZGVGVUYHE-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.42
Rot. Bonds4

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

5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2195556) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2195556
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(SCc2nc(-c3ccccn3)no2)cc1
InChIInChI=1S/C14H11N3OS/c1-2-6-11(7-3-1)19-10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-9H,10H2
InChIKeyJGISSZGVGVUYHE-UHFFFAOYSA-N
XLogP3.42
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-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 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2195556) is 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(SCc2nc(-c3ccccn3)no2)cc1.
What is the InChIKey of 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is JGISSZGVGVUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c1-2-6-11(7-3-1)19-10-13-16-14(17-18-13)12-8-4-5-9-15-12/h1-9H,10H2.
What are the key properties of 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 269.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenylsulfanylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2195556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).