5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole

C10H9ClN2OS — CID 106849376

IUPAC5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCCSc1ccc(-c2noc(Cl)n2)cc1
InChIInChI=1S/C10H9ClN2OS/c1-2-15-8-5-3-7(4-6-8)9-12-10(11)14-13-9/h3-6H,2H2,1H3
InChIKeyFRYFGMQWQOICPX-UHFFFAOYSA-N
MW240.72 g/mol
LogP3.50
Rot. Bonds3

About 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole

5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole (PubChem CID 106849376) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
PubChem CID106849376
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole
SMILESCCSc1ccc(-c2noc(Cl)n2)cc1
InChIInChI=1S/C10H9ClN2OS/c1-2-15-8-5-3-7(4-6-8)9-12-10(11)14-13-9/h3-6H,2H2,1H3
InChIKeyFRYFGMQWQOICPX-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-(4-ethylsulfanylphenyl)-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

5-chloro-3-(4-ethylphenyl)-1,2,4-oxadiazole
CID 60984935
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106850000
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96663539
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565674
3-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 106850058
2-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 106109420
(1R)-1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106847546
3-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutanoic acid
CID 106847684
4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine
CID 106847790
3-(4-ethylsulfanylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106847582
4-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]thiolan-3-ol
CID 106850005
1-[3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 106850061

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole (CID 106849376) is 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole is CCSc1ccc(-c2noc(Cl)n2)cc1.
What is the InChIKey of 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole?
The InChIKey is FRYFGMQWQOICPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c1-2-15-8-5-3-7(4-6-8)9-12-10(11)14-13-9/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole?
5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole has a molecular weight of 240.72 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-ethylsulfanylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 106849376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).