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

C15H11ClN2O3S — CID 1484229

IUPAC3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H11ClN2O3S/c1-22(19,20)13-8-3-2-7-12(13)15-17-14(18-21-15)10-5-4-6-11(16)9-10/h2-9H,1H3
InChIKeyKQRXIVDUPXEGFA-UHFFFAOYSA-N
MW334.78 g/mol
LogP3.46
Rot. Bonds3

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

3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole (PubChem CID 1484229) has the molecular formula C15H11ClN2O3S and a molecular weight of 334.78 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole
PubChem CID1484229
Molecular FormulaC15H11ClN2O3S
Molecular Weight334.78 g/mol
Exact Mass334.02
IUPAC Name3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C15H11ClN2O3S/c1-22(19,20)13-8-3-2-7-12(13)15-17-14(18-21-15)10-5-4-6-11(16)9-10/h2-9H,1H3
InChIKeyKQRXIVDUPXEGFA-UHFFFAOYSA-N
XLogP3.46
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole (CID 1484229) is 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole is CS(=O)(=O)c1ccccc1-c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole?
The InChIKey is KQRXIVDUPXEGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3S/c1-22(19,20)13-8-3-2-7-12(13)15-17-14(18-21-15)10-5-4-6-11(16)9-10/h2-9H,1H3.
What are the key properties of 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole has a molecular weight of 334.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(2-methylsulfonylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1484229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).