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

C16H9Cl2FN2OS — CID 141479173

IUPAC2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Sc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C16H9Cl2FN2OS/c17-11-4-7-14(13(18)9-11)23-16-21-20-15(22-16)8-3-10-1-5-12(19)6-2-10/h1-9H/b8-3+
InChIKeyRNVLJUBYIONOSQ-FPYGCLRLSA-N
MW367.23 g/mol
LogP5.84
Rot. Bonds4

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

2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 141479173) has the molecular formula C16H9Cl2FN2OS and a molecular weight of 367.23 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID141479173
Molecular FormulaC16H9Cl2FN2OS
Molecular Weight367.23 g/mol
Exact Mass365.98
IUPAC Name2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Sc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C16H9Cl2FN2OS/c17-11-4-7-14(13(18)9-11)23-16-21-20-15(22-16)8-3-10-1-5-12(19)6-2-10/h1-9H/b8-3+
InChIKeyRNVLJUBYIONOSQ-FPYGCLRLSA-N
XLogP5.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.23
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5854588
2-[(2,6-dichlorobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 5909558
4-chlorobenzyl 5-[(E)-2-phenylethenyl]-1,3,4-oxadiazol-2-yl sulfide
CID 5913783
2-[(2,4-dichlorobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 5937952
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(3-methylphenyl)sulfanyl-1,3,4-oxadiazole
CID 141479178
2-[(E)-2-(4-fluorophenyl)ethenyl]-5-(4-fluorophenyl)sulfanyl-1,3,4-oxadiazole
CID 141479181
2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479191
2-(4-fluorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479195
2-benzylsulfanyl-5-[(E)-2-(2,4-dichlorophenyl)ethenyl]-1,3,4-oxadiazole
CID 6178693
2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479190
2-[(2-Chlorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3536335
2-[(2,6-Dichlorophenyl)methylsulfanyl]-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3740018

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (CID 141479173) is 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is Fc1ccc(/C=C/c2nnc(Sc3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is RNVLJUBYIONOSQ-FPYGCLRLSA-N. The full InChI is InChI=1S/C16H9Cl2FN2OS/c17-11-4-7-14(13(18)9-11)23-16-21-20-15(22-16)8-3-10-1-5-12(19)6-2-10/h1-9H/b8-3+.
What are the key properties of 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 367.23 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141479173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).