2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole

C10H7F3N2OS — CID 21215153

IUPAC2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)8-14-15-9(16-8)17-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRPQUXUYPLYQOBA-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.38
Rot. Bonds3

About 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole

2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 21215153) has the molecular formula C10H7F3N2OS and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID21215153
Molecular FormulaC10H7F3N2OS
Molecular Weight260.24 g/mol
Exact Mass260.02
IUPAC Name2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(SCc2ccccc2)o1
InChIInChI=1S/C10H7F3N2OS/c11-10(12,13)8-14-15-9(16-8)17-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyRPQUXUYPLYQOBA-UHFFFAOYSA-N
XLogP3.38
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Benzylsulfanyl-5-propan-2-yl-1,3,4-oxadiazole
CID 28564111
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-{5-[(4-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 662925
2-{5-[(2-Fluorobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}ethanamine
CID 663062
2-[(2-Fluorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 4191710
2-Benzylsulfinyl-5-methyl-1,3,4-oxadiazole
CID 44324093
2-[(4-Chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215133
2-[(4-Bromophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215135
2-[(2-Chlorophenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215195
2-[(4-Methylphenyl)methylsulfanyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 21215196

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 21215153) is 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(SCc2ccccc2)o1.
What is the InChIKey of 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is RPQUXUYPLYQOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2OS/c11-10(12,13)8-14-15-9(16-8)17-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 260.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 21215153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).