3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C11H20N4O3S — CID 163350275

IUPAC3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(S(=O)(=O)C(C)C)CC2)n1
InChIInChI=1S/C11H20N4O3S/c1-9(2)19(16,17)15-6-4-14(5-7-15)8-11-12-10(3)13-18-11/h9H,4-8H2,1-3H3
InChIKeyAZSLJDGZJRSKNH-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.23
Rot. Bonds4

About 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 163350275) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID163350275
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(S(=O)(=O)C(C)C)CC2)n1
InChIInChI=1S/C11H20N4O3S/c1-9(2)19(16,17)15-6-4-14(5-7-15)8-11-12-10(3)13-18-11/h9H,4-8H2,1-3H3
InChIKeyAZSLJDGZJRSKNH-UHFFFAOYSA-N
XLogP0.23
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-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-methyl-4-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,5-oxadiazole
CID 91946603
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile
CID 86916728
(2R)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-2-ol
CID 111488176
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 86804175
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 60508798
[(1S,3R)-3-aminocyclopentyl]-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 124696345
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
5-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 124803938

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 163350275) is 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is Cc1noc(CN2CCN(S(=O)(=O)C(C)C)CC2)n1.
What is the InChIKey of 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is AZSLJDGZJRSKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-9(2)19(16,17)15-6-4-14(5-7-15)8-11-12-10(3)13-18-11/h9H,4-8H2,1-3H3.
What are the key properties of 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 288.37 g/mol, XLogP of 0.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(4-propan-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 163350275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).