2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole

C16H13FN2OS2 — CID 141463332

IUPAC2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(SCc2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C16H13FN2OS2/c17-13-6-8-14(9-7-13)21-11-15-18-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyQOGXWVGCWXERRX-UHFFFAOYSA-N
MW332.43 g/mol
LogP4.79
Rot. Bonds6

About 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole

2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 141463332) has the molecular formula C16H13FN2OS2 and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID141463332
Molecular FormulaC16H13FN2OS2
Molecular Weight332.43 g/mol
Exact Mass332.05
IUPAC Name2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
SMILESFc1ccc(SCc2nnc(SCc3ccccc3)o2)cc1
InChIInChI=1S/C16H13FN2OS2/c17-13-6-8-14(9-7-13)21-11-15-18-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2
InChIKeyQOGXWVGCWXERRX-UHFFFAOYSA-N
XLogP4.79
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-((2-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234038
2-((4-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 21234042
2-((3-Fluorobenzyl)thio)-5-methyl-1,3,4-oxadiazole
CID 52142401
2-[(2-Fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 4191710
2-[(4-Fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215197
[2-Fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]boronic acid
CID 55052917
[3-Fluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]boronic acid
CID 62253847
[5-Fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]boronic acid
CID 62254033
2-[(4-Chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463333
2-Ethylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463346
2-[(4-Fluorophenyl)sulfanylmethyl]-5-methylsulfanyl-1,3,4-oxadiazole
CID 141463348
2-benzylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479176

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole (CID 141463332) is 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole is Fc1ccc(SCc2nnc(SCc3ccccc3)o2)cc1.
What is the InChIKey of 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is QOGXWVGCWXERRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS2/c17-13-6-8-14(9-7-13)21-11-15-18-19-16(20-15)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2.
What are the key properties of 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole?
2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 332.43 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141463332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).