3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

C14H18N4O3S — CID 99836914

IUPAC3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCc1cnccc1N1CCN(S(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C14H18N4O3S/c1-12-10-15-4-2-14(12)17-5-7-18(8-6-17)22(19,20)11-13-3-9-21-16-13/h2-4,9-10H,5-8,11H2,1H3
InChIKeyJDDVSOQPXQPYLN-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.03
Rot. Bonds4

About 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole

3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (PubChem CID 99836914) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
PubChem CID99836914
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
SMILESCc1cnccc1N1CCN(S(=O)(=O)Cc2ccon2)CC1
InChIInChI=1S/C14H18N4O3S/c1-12-10-15-4-2-14(12)17-5-7-18(8-6-17)22(19,20)11-13-3-9-21-16-13/h2-4,9-10H,5-8,11H2,1H3
InChIKeyJDDVSOQPXQPYLN-UHFFFAOYSA-N
XLogP1.03
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole (CID 99836914) is 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is Cc1cnccc1N1CCN(S(=O)(=O)Cc2ccon2)CC1.
What is the InChIKey of 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
The InChIKey is JDDVSOQPXQPYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-12-10-15-4-2-14(12)17-5-7-18(8-6-17)22(19,20)11-13-3-9-21-16-13/h2-4,9-10H,5-8,11H2,1H3.
What are the key properties of 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole?
3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole has a molecular weight of 322.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 99836914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).