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

C11H11ClN2O — CID 112571906

IUPAC3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(CCc2nc(Cl)no2)cc1
InChIInChI=1S/C11H11ClN2O/c1-8-2-4-9(5-3-8)6-7-10-13-11(12)14-15-10/h2-5H,6-7H2,1H3
InChIKeyLSHCWKBIZNVAMJ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.82
Rot. Bonds3

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

3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole (PubChem CID 112571906) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole
PubChem CID112571906
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccc(CCc2nc(Cl)no2)cc1
InChIInChI=1S/C11H11ClN2O/c1-8-2-4-9(5-3-8)6-7-10-13-11(12)14-15-10/h2-5H,6-7H2,1H3
InChIKeyLSHCWKBIZNVAMJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-[2-(4-methylphenyl)ethyl]-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-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 62504146
3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole
CID 112571957
3-chloro-5-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazole
CID 112571960
1-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 62504830
4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 62330251
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
N-methyl-2-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 55061768
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
1-[5-[2-(4-propan-2-ylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120855150
2-(3-chloropropyl)-5-[2-(4-methylphenyl)ethyl]-1,3,4-oxadiazole
CID 62505329

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole (CID 112571906) is 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole is Cc1ccc(CCc2nc(Cl)no2)cc1.
What is the InChIKey of 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is LSHCWKBIZNVAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-2-4-9(5-3-8)6-7-10-13-11(12)14-15-10/h2-5H,6-7H2,1H3.
What are the key properties of 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole?
3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 222.68 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112571906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).