5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole

C17H16N2OS — CID 2977853

IUPAC5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(SC(C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-13(2)17-18-16(19-20-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChIKeyCRPPZWJNXLEYCA-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.90
Rot. Bonds4

About 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole

5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2977853) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2977853
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(SC(C)c2nc(-c3ccccc3)no2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-13(2)17-18-16(19-20-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3
InChIKeyCRPPZWJNXLEYCA-UHFFFAOYSA-N
XLogP4.90
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-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-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole (CID 2977853) is 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(SC(C)c2nc(-c3ccccc3)no2)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is CRPPZWJNXLEYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-8-10-15(11-9-12)21-13(2)17-18-16(19-20-17)14-6-4-3-5-7-14/h3-11,13H,1-2H3.
What are the key properties of 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 296.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)sulfanylethyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2977853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).