1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

C18H13FN2O2S — CID 6052536

IUPAC1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(/C=C/c2ccccc2)o1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2S/c19-15-9-7-14(8-10-15)16(22)12-24-18-21-20-17(23-18)11-6-13-4-2-1-3-5-13/h1-11H,12H2/b11-6+
InChIKeyCCEZQFXVGRLXEJ-IZZDOVSWSA-N
MW340.38 g/mol
LogP4.35
Rot. Bonds6

About 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone

1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (PubChem CID 6052536) has the molecular formula C18H13FN2O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
PubChem CID6052536
Molecular FormulaC18H13FN2O2S
Molecular Weight340.38 g/mol
Exact Mass340.07
IUPAC Name1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
SMILESO=C(CSc1nnc(/C=C/c2ccccc2)o1)c1ccc(F)cc1
InChIInChI=1S/C18H13FN2O2S/c19-15-9-7-14(8-10-15)16(22)12-24-18-21-20-17(23-18)11-6-13-4-2-1-3-5-13/h1-11H,12H2/b11-6+
InChIKeyCCEZQFXVGRLXEJ-IZZDOVSWSA-N
XLogP4.35
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone with MolForge

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Related Compounds

2-[[5-(2-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 859801
2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(2,5-difluorophenyl)ethanone
CID 2540259
2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)thio]-1-phenylethanone
CID 854668
2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(4-fluorophenyl)ethanone
CID 4361643
1-(4-Fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 743525
2-[(5-Methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 60626375
1-(4-Fluorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 2968706
2-[[5-(3-Fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylethanone
CID 3186460
1-(3-Fluorophenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 8675966
1-Phenyl-2-[(5-propyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 6494323
1-(2-Fluorophenyl)-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 859824
1-(2-Fluorophenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 859887

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone (CID 6052536) is 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is O=C(CSc1nnc(/C=C/c2ccccc2)o1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
The InChIKey is CCEZQFXVGRLXEJ-IZZDOVSWSA-N. The full InChI is InChI=1S/C18H13FN2O2S/c19-15-9-7-14(8-10-15)16(22)12-24-18-21-20-17(23-18)11-6-13-4-2-1-3-5-13/h1-11H,12H2/b11-6+.
What are the key properties of 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone?
1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone has a molecular weight of 340.38 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone is sourced from PubChem (CID 6052536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).