3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole

C15H16N6O3S — CID 133326237

IUPAC3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C15H16N6O3S/c22-25(23,11-12-3-10-24-19-12)21-8-6-20(7-9-21)14-2-1-13-15(18-14)17-5-4-16-13/h1-5,10H,6-9,11H2
InChIKeyPENUQRJHPYFBOD-UHFFFAOYSA-N
MW360.40 g/mol
LogP0.66
Rot. Bonds4

About 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole

3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole (PubChem CID 133326237) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole
PubChem CID133326237
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC Name3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole
SMILESO=S(=O)(Cc1ccon1)N1CCN(c2ccc3nccnc3n2)CC1
InChIInChI=1S/C15H16N6O3S/c22-25(23,11-12-3-10-24-19-12)21-8-6-20(7-9-21)14-2-1-13-15(18-14)17-5-4-16-13/h1-5,10H,6-9,11H2
InChIKeyPENUQRJHPYFBOD-UHFFFAOYSA-N
XLogP0.66
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326136
3-[[4-(3-methyl-4-pyridinyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 99836914
3-[[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326211
3-[[4-(2-chloroprop-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988744
3-[[4-(2-pyridin-4-ylethyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988746
3-[[4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 133326212
3-[[4-(3-methylbut-2-enyl)piperazin-1-yl]sulfonylmethyl]-1,2-oxazole
CID 71988747
2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119186920
4-pyrido[2,3-b]pyrazin-6-ylthiomorpholine
CID 75368987
4-chloro-2-[4-(1,2-oxazol-3-ylmethylsulfonyl)piperazin-1-yl]benzonitrile
CID 133326144
3-[(4-pyridin-4-ylazepan-1-yl)sulfonylmethyl]-1,2-oxazole
CID 154769766
2-pyridin-2-yl-1-(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)ethanone
CID 84589531

Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole?
The IUPAC name of 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole (CID 133326237) is 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole.
What is the SMILES notation for 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole?
The canonical SMILES for 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole is O=S(=O)(Cc1ccon1)N1CCN(c2ccc3nccnc3n2)CC1.
What is the InChIKey of 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole?
The InChIKey is PENUQRJHPYFBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3S/c22-25(23,11-12-3-10-24-19-12)21-8-6-20(7-9-21)14-2-1-13-15(18-14)17-5-4-16-13/h1-5,10H,6-9,11H2.
What are the key properties of 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole?
3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole has a molecular weight of 360.40 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyrido[2,3-b]pyrazin-6-ylpiperazin-1-yl)sulfonylmethyl]-1,2-oxazole is sourced from PubChem (CID 133326237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).