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

C12H11ClN2OS — CID 141479187

IUPAC2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(/C=C/c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H11ClN2OS/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+
InChIKeyXDGAOQQGGQPKMX-VMPITWQZSA-N
MW266.75 g/mol
LogP4.01
Rot. Bonds4

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

2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole (PubChem CID 141479187) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole
PubChem CID141479187
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole
SMILESCCSc1nnc(/C=C/c2ccc(Cl)cc2)o1
InChIInChI=1S/C12H11ClN2OS/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+
InChIKeyXDGAOQQGGQPKMX-VMPITWQZSA-N
XLogP4.01
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole (CID 141479187) is 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole is CCSc1nnc(/C=C/c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
The InChIKey is XDGAOQQGGQPKMX-VMPITWQZSA-N. The full InChI is InChI=1S/C12H11ClN2OS/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-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole?
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole has a molecular weight of 266.75 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-chlorophenyl)ethenyl]-5-ethylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 141479187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).