5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole

C10H9ClN2OS — CID 66087015

IUPAC5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(SCc2noc(Cl)n2)c1
InChIInChI=1S/C10H9ClN2OS/c1-7-3-2-4-8(5-7)15-6-9-12-10(11)14-13-9/h2-5H,6H2,1H3
InChIKeyCAWODHGYIOHYNV-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole

5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole (PubChem CID 66087015) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
PubChem CID66087015
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
SMILESCc1cccc(SCc2noc(Cl)n2)c1
InChIInChI=1S/C10H9ClN2OS/c1-7-3-2-4-8(5-7)15-6-9-12-10(11)14-13-9/h2-5H,6H2,1H3
InChIKeyCAWODHGYIOHYNV-UHFFFAOYSA-N
XLogP3.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-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

3-[[3-(Trifluoromethyl)phenyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 54161772
5-Chloro-3-[(2-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66053296
5-Chloro-3-[(4-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66065723
5-Chloro-3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66072937
3-(4-Methylphenylthiomethyl)-1,2,4-oxadiazole
CID 20566327
3-[(2,3-Dimethylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 20566330
3-[(E)-2-(4-methylsulfanylphenyl)ethenyl]-1,2,4-oxadiazol-5-amine
CID 21448221
3-[(E)-2-(3-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole
CID 21448223
3-[(E)-2-(3-methylsulfanylphenyl)ethenyl]-1,2,4-oxadiazole
CID 21448288
5-Methyl-3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 52727946
5-Methyl-3-[2-(4-methylsulfanylphenyl)ethenyl]-1,2,4-oxadiazole
CID 53761125
3-[(4-Butylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 53781398

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole (CID 66087015) is 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole is Cc1cccc(SCc2noc(Cl)n2)c1.
What is the InChIKey of 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
The InChIKey is CAWODHGYIOHYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-7-3-2-4-8(5-7)15-6-9-12-10(11)14-13-9/h2-5H,6H2,1H3.
What are the key properties of 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole?
5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole has a molecular weight of 240.72 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66087015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).