2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole

C11H12N2O3S2 — CID 47096897

IUPAC2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)CCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N2O3S2/c1-18(14,15)8-7-17-11-13-12-10(16-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyWAXPTQAGUNYLEJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.87
Rot. Bonds5

About 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole

2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole (PubChem CID 47096897) has the molecular formula C11H12N2O3S2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
PubChem CID47096897
Molecular FormulaC11H12N2O3S2
Molecular Weight284.36 g/mol
Exact Mass284.03
IUPAC Name2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole
SMILESCS(=O)(=O)CCSc1nnc(-c2ccccc2)o1
InChIInChI=1S/C11H12N2O3S2/c1-18(14,15)8-7-17-11-13-12-10(16-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyWAXPTQAGUNYLEJ-UHFFFAOYSA-N
XLogP1.87
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-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

Related Compounds

2-benzyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-oxadiazole
CID 47096888
2-dodecylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 54590696
2-phenyl-5-[[2,4,6-trimethyl-3,5-bis[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 139079587
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
phenyl 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanesulfonate
CID 38924145
2-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 23613653
2-methylsulfonyl-5-phenyl-1,3,4-oxadiazole
CID 4739110
1-(4-methylphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 828968
2-phenyl-5-[5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazole
CID 19811954
2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]isoindole-1,3-dione
CID 7459288
N,N-diethyl-3-[5-(2-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]benzenesulfonamide
CID 8661948
2-[2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethoxy]benzoic acid
CID 23010008

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole (CID 47096897) is 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole is CS(=O)(=O)CCSc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole?
The InChIKey is WAXPTQAGUNYLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S2/c1-18(14,15)8-7-17-11-13-12-10(16-11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole?
2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole has a molecular weight of 284.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylethylsulfanyl)-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 47096897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).