5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole

C13H15ClN2O3S — CID 167908693

IUPAC5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)CCc1noc(CCc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2O3S/c1-20(17,18)9-8-12-15-13(19-16-12)7-6-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3
InChIKeyFEQABRPJMPAAFS-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.10
Rot. Bonds6

About 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole

5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole (PubChem CID 167908693) has the molecular formula C13H15ClN2O3S and a molecular weight of 314.79 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
PubChem CID167908693
Molecular FormulaC13H15ClN2O3S
Molecular Weight314.79 g/mol
Exact Mass314.05
IUPAC Name5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)CCc1noc(CCc2ccccc2Cl)n1
InChIInChI=1S/C13H15ClN2O3S/c1-20(17,18)9-8-12-15-13(19-16-12)7-6-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3
InChIKeyFEQABRPJMPAAFS-UHFFFAOYSA-N
XLogP2.10
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
3-[(2-chlorophenyl)methyl]-5-[2-(1,5-dimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 126787311
2-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 107273781
5-(8-chloro-2-methylquinolin-3-yl)-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole
CID 167765632
3-chloro-5-[2-(2-methylphenyl)ethyl]-1,2,4-oxadiazole
CID 112571957
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349638
[3-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120750529
N-[(1R)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]propane-1-sulfonamide
CID 97212046
N-[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzenesulfonamide
CID 17101564
(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120834323
N-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016
3-[(2-chlorophenyl)methyl]-5-(1-methylsulfonylcyclobutyl)-1,2,4-oxadiazole
CID 131961736

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole (CID 167908693) is 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole is CS(=O)(=O)CCc1noc(CCc2ccccc2Cl)n1.
What is the InChIKey of 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
The InChIKey is FEQABRPJMPAAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3S/c1-20(17,18)9-8-12-15-13(19-16-12)7-6-10-4-2-3-5-11(10)14/h2-5H,6-9H2,1H3.
What are the key properties of 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole?
5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole has a molecular weight of 314.79 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)ethyl]-3-(2-methylsulfonylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167908693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).