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

C11H12N2OS — CID 2304514

IUPAC2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C11H12N2OS/c1-2-15-11-13-12-10(14-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyGRRUMMSYXVSRIV-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.77
Rot. Bonds4

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

2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole (PubChem CID 2304514) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole
PubChem CID2304514
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(Cc2ccccc2)o1
InChIInChI=1S/C11H12N2OS/c1-2-15-11-13-12-10(14-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyGRRUMMSYXVSRIV-UHFFFAOYSA-N
XLogP2.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-5-ethylsulfanyl-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-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole (CID 2304514) is 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole is CCSc1nnc(Cc2ccccc2)o1.
What is the InChIKey of 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole?
The InChIKey is GRRUMMSYXVSRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-15-11-13-12-10(14-11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole?
2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole has a molecular weight of 220.30 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 2304514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).