3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole

C16H11Cl3N2OS — CID 47091821

IUPAC3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CSCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H11Cl3N2OS/c17-12-5-2-1-4-10(12)16-20-15(22-21-16)9-23-8-11-13(18)6-3-7-14(11)19/h1-7H,8-9H2
InChIKeyCSUXJRQTVGDYPH-UHFFFAOYSA-N
MW385.70 g/mol
LogP6.13
Rot. Bonds5

About 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 47091821) has the molecular formula C16H11Cl3N2OS and a molecular weight of 385.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
PubChem CID47091821
Molecular FormulaC16H11Cl3N2OS
Molecular Weight385.70 g/mol
Exact Mass383.97
IUPAC Name3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CSCc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C16H11Cl3N2OS/c17-12-5-2-1-4-10(12)16-20-15(22-21-16)9-23-8-11-13(18)6-3-7-14(11)19/h1-7H,8-9H2
InChIKeyCSUXJRQTVGDYPH-UHFFFAOYSA-N
XLogP6.13
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.70
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole (CID 47091821) is 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole is Clc1ccccc1-c1noc(CSCc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is CSUXJRQTVGDYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2OS/c17-12-5-2-1-4-10(12)16-20-15(22-21-16)9-23-8-11-13(18)6-3-7-14(11)19/h1-7H,8-9H2.
What are the key properties of 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 385.70 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[(2,6-dichlorophenyl)methylsulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47091821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).