5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole

C18H17ClN2O3S — CID 55746494

IUPAC5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(CCCc1ccccc1)Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN2O3S/c19-16-10-8-15(9-11-16)18-20-17(21-24-18)13-25(22,23)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyPSMOBANCXUWPMH-UHFFFAOYSA-N
MW376.87 g/mol
LogP3.94
Rot. Bonds7

About 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole

5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 55746494) has the molecular formula C18H17ClN2O3S and a molecular weight of 376.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID55746494
Molecular FormulaC18H17ClN2O3S
Molecular Weight376.87 g/mol
Exact Mass376.06
IUPAC Name5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole
SMILESO=S(=O)(CCCc1ccccc1)Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17ClN2O3S/c19-16-10-8-15(9-11-16)18-20-17(21-24-18)13-25(22,23)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2
InChIKeyPSMOBANCXUWPMH-UHFFFAOYSA-N
XLogP3.94
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.87
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3,4-Dichlorophenyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 155530502
5-(4-Chlorophenyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 741929
3-(4-Chlorophenyl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 2803952
5-(4-Chlorophenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 745721
3-Benzyl-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 747211
5-(4-Chlorophenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 803886
3-[(4-Chlorophenyl)methyl]-5-thiophen-2-yl-1,2,4-oxadiazole
CID 873063
3-(2-Chlorobenzyl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 874773
3-(4-Chlorophenyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
CID 892356
3-(3-Chlorophenyl)-5-[2-(methylsulfinyl)phenyl]-1,2,4-oxadiazole
CID 1484227
3-(4-Chlorophenyl)-5-[2-(methylsulfinyl)phenyl]-1,2,4-oxadiazole
CID 1484228
Methyl 2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetate
CID 45870141

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole (CID 55746494) is 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole is O=S(=O)(CCCc1ccccc1)Cc1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is PSMOBANCXUWPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3S/c19-16-10-8-15(9-11-16)18-20-17(21-24-18)13-25(22,23)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13H2.
What are the key properties of 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole?
5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 376.87 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(3-phenylpropylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 55746494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).