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

C13H16N2O4S — CID 47218244

IUPAC5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CS(=O)(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C13H16N2O4S/c1-3-5-12-14-13(19-15-12)9-20(16,17)11-7-4-6-10(8-11)18-2/h4,6-8H,3,5,9H2,1-2H3
InChIKeyLFTRGIMPRREHPE-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.00
Rot. Bonds6

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

5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole (PubChem CID 47218244) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
PubChem CID47218244
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(CS(=O)(=O)c2cccc(OC)c2)n1
InChIInChI=1S/C13H16N2O4S/c1-3-5-12-14-13(19-15-12)9-20(16,17)11-7-4-6-10(8-11)18-2/h4,6-8H,3,5,9H2,1-2H3
InChIKeyLFTRGIMPRREHPE-UHFFFAOYSA-N
XLogP2.00
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-Methoxyphenyl)sulfonylmethyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 45826058
3-[(4-Methoxyphenyl)sulfonylmethyl]-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 45826082
3-Ethyl-5-[(3-methoxyphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 52623278
5-(((4-Methoxyphenyl)sulfonyl)methyl)-3-phenyl-1,2,4-oxadiazole
CID 30849057
3-Methyl-5-[(4-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 45805641
3-[(4-Methoxyphenyl)sulfinylmethyl]-5-methyl-1,2,4-oxadiazole
CID 71932214
5-[1-[(3-Fluoro-4-methoxyphenyl)methylsulfinyl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 72148560
3-[(4-Fluorophenoxy)methyl]-5-(1-methylsulfonylethyl)-1,2,4-oxadiazole
CID 86818426
3-Methoxy-N-[2-(5-methyl-1,2,4-oxadiazol-3-YL)ethyl]benzene-1-sulfonamide
CID 91907157
5-[1-(3-Methoxybenzenesulfonyl)azetidin-3-YL]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124069660
N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-5-methyl-1,2,4-oxadiazole-3-carboxamide
CID 69881008
N-[2-ethylsulfanyl-6-(trifluoromethoxy)phenyl]sulfonyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 139843465

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole (CID 47218244) is 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole is CCCc1noc(CS(=O)(=O)c2cccc(OC)c2)n1.
What is the InChIKey of 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
The InChIKey is LFTRGIMPRREHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-3-5-12-14-13(19-15-12)9-20(16,17)11-7-4-6-10(8-11)18-2/h4,6-8H,3,5,9H2,1-2H3.
What are the key properties of 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole?
5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole has a molecular weight of 296.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 47218244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).