2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole

C11H12N2O3S — CID 121219782

IUPAC2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole
SMILESCCS(=O)(=O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C11H12N2O3S/c1-2-17(14,15)11-13-12-10(16-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWMGRTGRSKFUGHS-UHFFFAOYSA-N
MW252.30 g/mol
LogP1.45
Rot. Bonds4

About 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole

2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole (PubChem CID 121219782) has the molecular formula C11H12N2O3S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole
PubChem CID121219782
Molecular FormulaC11H12N2O3S
Molecular Weight252.30 g/mol
Exact Mass252.06
IUPAC Name2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole
SMILESCCS(=O)(=O)c1nnc(Cc2ccccc2)o1
InChIInChI=1S/C11H12N2O3S/c1-2-17(14,15)11-13-12-10(16-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWMGRTGRSKFUGHS-UHFFFAOYSA-N
XLogP1.45
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzyl-5-propyl-1,3,4-oxadiazole
CID 14949002
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 4588662
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]ethanesulfonamide
CID 9185655
N-[(1S)-1-(5-ethylsulfonyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]propane-1-sulfonamide
CID 9185661
2-benzylsulfonyl-5-methyl-1,3,4-oxadiazole
CID 167434648
2-benzyl-5-(bromomethyl)-1,3,4-oxadiazole
CID 89104418
2-benzyl-5-(2-methylsulfonylethylsulfanyl)-1,3,4-oxadiazole
CID 47096888
1-[(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)methyl]-3-propylurea
CID 9189459
ethyl 2-(5-benzyl-1,3,4-oxadiazol-2-yl)acetate
CID 164897034
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 55039594
methyl 2-[[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfonyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3529683
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-methylpropanamide
CID 9190069

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole (CID 121219782) is 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole is CCS(=O)(=O)c1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole?
The InChIKey is WMGRTGRSKFUGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-2-17(14,15)11-13-12-10(16-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole?
2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole has a molecular weight of 252.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethylsulfonyl-1,3,4-oxadiazole is sourced from PubChem (CID 121219782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).