3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole

C12H15N3O3S — CID 146144303

IUPAC3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C12H15N3O3S/c1-9(2)6-11-14-12(18-15-11)8-19(16,17)10-4-3-5-13-7-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeyXFEPZHOVLSTYKA-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.64
Rot. Bonds5

About 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole

3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole (PubChem CID 146144303) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole
PubChem CID146144303
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole
SMILESCC(C)Cc1noc(CS(=O)(=O)c2cccnc2)n1
InChIInChI=1S/C12H15N3O3S/c1-9(2)6-11-14-12(18-15-11)8-19(16,17)10-4-3-5-13-7-10/h3-5,7,9H,6,8H2,1-2H3
InChIKeyXFEPZHOVLSTYKA-UHFFFAOYSA-N
XLogP1.64
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-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-(2-methylpropylsulfonyl)pyridine
CID 166834776
3-(2-methylpropyl)-5-[(3-methylsulfonylphenoxy)methyl]-1,2,4-oxadiazole
CID 51081321
3-(2-methylpropyl)-5-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 47562215
4-propan-2-yl-3-(pyridin-3-ylsulfonylmethyl)-1,2-oxazole
CID 167847128
3-ethyl-5-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 53499958
5-[(4-propan-2-ylphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
CID 52623294
5-[(3-methoxyphenyl)sulfonylmethyl]-3-propyl-1,2,4-oxadiazole
CID 47218244
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740542
[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318498
3-(2-methylpropyl)-5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 120754243
[3-(benzenesulfonylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 75356713
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole (CID 146144303) is 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole is CC(C)Cc1noc(CS(=O)(=O)c2cccnc2)n1.
What is the InChIKey of 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
The InChIKey is XFEPZHOVLSTYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9(2)6-11-14-12(18-15-11)8-19(16,17)10-4-3-5-13-7-10/h3-5,7,9H,6,8H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole?
3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole has a molecular weight of 281.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5-(pyridin-3-ylsulfonylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 146144303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).