2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone

C18H14F2N2O2S2 — CID 1183161

IUPAC2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H14F2N2O2S2/c19-17(20)26-14-8-6-13(7-9-14)15(23)11-25-18-22-21-16(24-18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyWWOWNVJLGWFXMB-UHFFFAOYSA-N
MW392.45 g/mol
LogP4.95
Rot. Bonds8

About 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone (PubChem CID 1183161) has the molecular formula C18H14F2N2O2S2 and a molecular weight of 392.45 g/mol. Its IUPAC name is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone
PubChem CID1183161
Molecular FormulaC18H14F2N2O2S2
Molecular Weight392.45 g/mol
Exact Mass392.05
IUPAC Name2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone
SMILESO=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(SC(F)F)cc1
InChIInChI=1S/C18H14F2N2O2S2/c19-17(20)26-14-8-6-13(7-9-14)15(23)11-25-18-22-21-16(24-18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2
InChIKeyWWOWNVJLGWFXMB-UHFFFAOYSA-N
XLogP4.95
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone?
The IUPAC name of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone (CID 1183161) is 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone?
The canonical SMILES for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone is O=C(CSc1nnc(Cc2ccccc2)o1)c1ccc(SC(F)F)cc1.
What is the InChIKey of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone?
The InChIKey is WWOWNVJLGWFXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S2/c19-17(20)26-14-8-6-13(7-9-14)15(23)11-25-18-22-21-16(24-18)10-12-4-2-1-3-5-12/h1-9,17H,10-11H2.
What are the key properties of 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone?
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone has a molecular weight of 392.45 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-[4-(difluoromethylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 1183161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).