2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole

C17H16N2OS — CID 53495050

IUPAC2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2OS/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyGPMDHSLSWHLISK-UHFFFAOYSA-N
MW296.40 g/mol
LogP4.15
Rot. Bonds6

About 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole

2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole (PubChem CID 53495050) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole
PubChem CID53495050
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2OS/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyGPMDHSLSWHLISK-UHFFFAOYSA-N
XLogP4.15
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-5-(2-phenylethyl)-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-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole (CID 53495050) is 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole is c1ccc(CCc2nnc(SCc3ccccc3)o2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
The InChIKey is GPMDHSLSWHLISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole has a molecular weight of 296.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(2-phenylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53495050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).