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

C11H11ClN2O — CID 112571957

IUPAC3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1CCc1nc(Cl)no1
InChIInChI=1S/C11H11ClN2O/c1-8-4-2-3-5-9(8)6-7-10-13-11(12)14-15-10/h2-5H,6-7H2,1H3
InChIKeyZCQUNRARSDHSQO-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.82
Rot. Bonds3

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

3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole (PubChem CID 112571957) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole
PubChem CID112571957
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1CCc1nc(Cl)no1
InChIInChI=1S/C11H11ClN2O/c1-8-4-2-3-5-9(8)6-7-10-13-11(12)14-15-10/h2-5H,6-7H2,1H3
InChIKeyZCQUNRARSDHSQO-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

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Related Compounds

3-iodo-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole
CID 112572344
2-[5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62653872
3-chloro-5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazole
CID 112571906
5-chloro-3-[(2-methylphenyl)methyl]-1,2,4-oxadiazole
CID 62596855
3-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524317
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
CID 167908693
1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 63349292
5-[2-(2-methylphenyl)ethyl]-3H-1,3,4-oxadiazole-2-thione
CID 62367611
2-[2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 107273817
N-methyl-1-[5-[2-(2-methylphenyl)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 62366775
N-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole (CID 112571957) is 3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole is Cc1ccccc1CCc1nc(Cl)no1.
What is the InChIKey of 3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is ZCQUNRARSDHSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-8-4-2-3-5-9(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-(2-methylphenyl)ethyl]-1,2,4-oxadiazole?
3-chloro-5-[2-(2-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-(2-methylphenyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 112571957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).