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

C16H10ClFN2OS — CID 141479191

IUPAC2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C16H10ClFN2OS/c17-12-4-8-14(9-5-12)22-16-20-19-15(21-16)10-3-11-1-6-13(18)7-2-11/h1-10H/b10-3+
InChIKeyVUECBLAIYXVRAH-XCVCLJGOSA-N
MW332.79 g/mol
LogP5.18
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 141479191) has the molecular formula C16H10ClFN2OS and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
PubChem CID141479191
Molecular FormulaC16H10ClFN2OS
Molecular Weight332.79 g/mol
Exact Mass332.02
IUPAC Name2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1ccc(/C=C/c2nnc(Sc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C16H10ClFN2OS/c17-12-4-8-14(9-5-12)22-16-20-19-15(21-16)10-3-11-1-6-13(18)7-2-11/h1-10H/b10-3+
InChIKeyVUECBLAIYXVRAH-XCVCLJGOSA-N
XLogP5.18
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[(4-Chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 141463333
2-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479173
2-benzylsulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479176
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-fluorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 141479195
2-[(4-Chlorophenyl)sulfonylmethyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 141517469
2-Benzylsulfanyl-5-[2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 174853568

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole (CID 141479191) is 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is Fc1ccc(/C=C/c2nnc(Sc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is VUECBLAIYXVRAH-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H10ClFN2OS/c17-12-4-8-14(9-5-12)22-16-20-19-15(21-16)10-3-11-1-6-13(18)7-2-11/h1-10H/b10-3+.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 332.79 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141479191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).