1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C11H9ClN2O2S — CID 60626314

IUPAC1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)c2ccccc2Cl)o1
InChIInChI=1S/C11H9ClN2O2S/c1-7-13-14-11(16-7)17-6-10(15)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyBIUNYXVMBXPLOO-UHFFFAOYSA-N
MW268.73 g/mol
LogP3.01
Rot. Bonds4

About 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 60626314) has the molecular formula C11H9ClN2O2S and a molecular weight of 268.73 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID60626314
Molecular FormulaC11H9ClN2O2S
Molecular Weight268.73 g/mol
Exact Mass268.01
IUPAC Name1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESCc1nnc(SCC(=O)c2ccccc2Cl)o1
InChIInChI=1S/C11H9ClN2O2S/c1-7-13-14-11(16-7)17-6-10(15)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3
InChIKeyBIUNYXVMBXPLOO-UHFFFAOYSA-N
XLogP3.01
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 60626314) is 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)c2ccccc2Cl)o1.
What is the InChIKey of 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is BIUNYXVMBXPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S/c1-7-13-14-11(16-7)17-6-10(15)8-4-2-3-5-9(8)12/h2-5H,6H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 268.73 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 60626314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).