2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

C15H10Cl2N2OS — CID 562598

IUPAC2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SCc3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-11-6-7-12(13(17)8-11)14-18-19-15(20-14)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDAWVIXYYTGKMBG-UHFFFAOYSA-N
MW337.23 g/mol
LogP5.34
Rot. Bonds4

About 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole

2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (PubChem CID 562598) has the molecular formula C15H10Cl2N2OS and a molecular weight of 337.23 g/mol. Its IUPAC name is 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
PubChem CID562598
Molecular FormulaC15H10Cl2N2OS
Molecular Weight337.23 g/mol
Exact Mass335.99
IUPAC Name2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(SCc3ccccc3)o2)c(Cl)c1
InChIInChI=1S/C15H10Cl2N2OS/c16-11-6-7-12(13(17)8-11)14-18-19-15(20-14)21-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyDAWVIXYYTGKMBG-UHFFFAOYSA-N
XLogP5.34
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.23
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-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

benzyl 2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 1102828
2-(2,4-dichlorophenyl)-5-[(2-methylnaphthalen-1-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 3119544
2-(3-chlorophenyl)sulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 141232311
2-(2,4-dichlorophenyl)-5-[[5-[(2-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 92644913
2-benzylsulfanyl-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 53495036
2-[5-[[4-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
CID 3165512
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 4254101
2-benzylsulfanyl-5-(3-fluorophenyl)-1,3,4-oxadiazole
CID 53495022
2-(2-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 859809
2-benzylsulfanyl-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 56970576
2-benzylsulfanyl-5-(1H-indol-3-yl)-1,3,4-oxadiazole
CID 858959

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole (CID 562598) is 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(SCc3ccccc3)o2)c(Cl)c1.
What is the InChIKey of 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
The InChIKey is DAWVIXYYTGKMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2OS/c16-11-6-7-12(13(17)8-11)14-18-19-15(20-14)21-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole?
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole has a molecular weight of 337.23 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 562598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).