2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

C12H11FN2OS — CID 141479172

IUPAC2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FN2OS/c1-2-17-12-15-14-11(16-12)8-5-9-3-6-10(13)7-4-9/h3-8H,2H2,1H3/b8-5+
InChIKeyFNCSFJQYTQUQOS-VMPITWQZSA-N
MW250.30 g/mol
LogP3.49
Rot. Bonds4

About 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole

2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 141479172) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID141479172
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESCCSc1nnc(/C=C/c2ccc(F)cc2)o1
InChIInChI=1S/C12H11FN2OS/c1-2-17-12-15-14-11(16-12)8-5-9-3-6-10(13)7-4-9/h3-8H,2H2,1H3/b8-5+
InChIKeyFNCSFJQYTQUQOS-VMPITWQZSA-N
XLogP3.49
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (CID 141479172) is 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is CCSc1nnc(/C=C/c2ccc(F)cc2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is FNCSFJQYTQUQOS-VMPITWQZSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-2-17-12-15-14-11(16-12)8-5-9-3-6-10(13)7-4-9/h3-8H,2H2,1H3/b8-5+.
What are the key properties of 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141479172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).