3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole

C12H14N2O4S — CID 52623278

IUPAC3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCCc1noc(CS(=O)(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C12H14N2O4S/c1-3-11-13-12(18-14-11)8-19(15,16)10-6-4-5-9(7-10)17-2/h4-7H,3,8H2,1-2H3
InChIKeySNWBAWZAFLBJOE-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.61
Rot. Bonds5

About 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole

3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole (PubChem CID 52623278) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole
PubChem CID52623278
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole
SMILESCCc1noc(CS(=O)(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C12H14N2O4S/c1-3-11-13-12(18-14-11)8-19(15,16)10-6-4-5-9(7-10)17-2/h4-7H,3,8H2,1-2H3
InChIKeySNWBAWZAFLBJOE-UHFFFAOYSA-N
XLogP1.61
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole (CID 52623278) is 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole is CCc1noc(CS(=O)(=O)c2cccc(OC)c2)n1.
What is the InChIKey of 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
The InChIKey is SNWBAWZAFLBJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-3-11-13-12(18-14-11)8-19(15,16)10-6-4-5-9(7-10)17-2/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole?
3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole has a molecular weight of 282.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 52623278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).