2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole

C11H11ClN2OS — CID 8708214

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2ccc(Cl)cc2)o1
InChIInChI=1S/C11H11ClN2OS/c1-2-10-13-14-11(15-10)16-7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKeyWQOWKSCDNUEGOI-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.58
Rot. Bonds4

About 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole

2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole (PubChem CID 8708214) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole
PubChem CID8708214
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(SCc2ccc(Cl)cc2)o1
InChIInChI=1S/C11H11ClN2OS/c1-2-10-13-14-11(15-10)16-7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3
InChIKeyWQOWKSCDNUEGOI-UHFFFAOYSA-N
XLogP3.58
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole (CID 8708214) is 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole is CCc1nnc(SCc2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
The InChIKey is WQOWKSCDNUEGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-10-13-14-11(15-10)16-7-8-3-5-9(12)6-4-8/h3-6H,2,7H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole?
2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole has a molecular weight of 254.74 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 8708214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).