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

C15H13N3OS — CID 6539730

IUPAC2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(CCSc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H13N3OS/c1-2-4-12(5-3-1)8-11-20-15-18-17-14(19-15)13-6-9-16-10-7-13/h1-7,9-10H,8,11H2
InChIKeyHCSLTEJWVSDLGQ-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.47
Rot. Bonds5

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

2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 6539730) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID6539730
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESc1ccc(CCSc2nnc(-c3ccncc3)o2)cc1
InChIInChI=1S/C15H13N3OS/c1-2-4-12(5-3-1)8-11-20-15-18-17-14(19-15)13-6-9-16-10-7-13/h1-7,9-10H,8,11H2
InChIKeyHCSLTEJWVSDLGQ-UHFFFAOYSA-N
XLogP3.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole (CID 6539730) is 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is c1ccc(CCSc2nnc(-c3ccncc3)o2)cc1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is HCSLTEJWVSDLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-4-12(5-3-1)8-11-20-15-18-17-14(19-15)13-6-9-16-10-7-13/h1-7,9-10H,8,11H2.
What are the key properties of 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole?
2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 283.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 6539730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).