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

C16H11ClN2OS — CID 141479190

IUPAC2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESClc1ccc(Sc2nnc(/C=C/c3ccccc3)o2)cc1
InChIInChI=1S/C16H11ClN2OS/c17-13-7-9-14(10-8-13)21-16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKeySKUZNDUQUCUZBO-IZZDOVSWSA-N
MW314.80 g/mol
LogP5.04
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (PubChem CID 141479190) has the molecular formula C16H11ClN2OS and a molecular weight of 314.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
PubChem CID141479190
Molecular FormulaC16H11ClN2OS
Molecular Weight314.80 g/mol
Exact Mass314.03
IUPAC Name2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
SMILESClc1ccc(Sc2nnc(/C=C/c3ccccc3)o2)cc1
InChIInChI=1S/C16H11ClN2OS/c17-13-7-9-14(10-8-13)21-16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+
InChIKeySKUZNDUQUCUZBO-IZZDOVSWSA-N
XLogP5.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.80
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(2,4-dichlorophenyl)sulfanyl-5-[(E)-2-(4-fluorophenyl)ethenyl]-1,3,4-oxadiazole
CID 141479173
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-(4-Chlorophenylsulfonylethenesulfonylmethyl)-5-(4-chlorostyryl)-1,3,4-oxadiazole
CID 138377356
2-[(E)-2-(4-chlorophenyl)ethenyl]-5-(3,4,4-trifluorobut-3-enylsulfanyl)-1,3,4-oxadiazole
CID 134101658
2-[(3,4-dichlorobenzyl)sulfanyl]-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole
CID 5838701

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole (CID 141479190) is 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole is Clc1ccc(Sc2nnc(/C=C/c3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
The InChIKey is SKUZNDUQUCUZBO-IZZDOVSWSA-N. The full InChI is InChI=1S/C16H11ClN2OS/c17-13-7-9-14(10-8-13)21-16-19-18-15(20-16)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole?
2-(4-chlorophenyl)sulfanyl-5-[(E)-2-phenylethenyl]-1,3,4-oxadiazole has a molecular weight of 314.80 g/mol, XLogP of 5.04, 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-phenylethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 141479190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).