2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole

C13H16N4O3S — CID 110131569

IUPAC2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC(c2cncc(-c3ncco3)n2)CC1
InChIInChI=1S/C13H16N4O3S/c1-21(18,19)17-5-2-10(3-6-17)11-8-14-9-12(16-11)13-15-4-7-20-13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyUHOGHZXIRXMVRE-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.27
Rot. Bonds3

About 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole

2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole (PubChem CID 110131569) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole
PubChem CID110131569
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC(c2cncc(-c3ncco3)n2)CC1
InChIInChI=1S/C13H16N4O3S/c1-21(18,19)17-5-2-10(3-6-17)11-8-14-9-12(16-11)13-15-4-7-20-13/h4,7-10H,2-3,5-6H2,1H3
InChIKeyUHOGHZXIRXMVRE-UHFFFAOYSA-N
XLogP1.27
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-Propan-2-ylpyrazin-2-yl)-1,3-oxazole
CID 58448977
2-[5-(1-Methylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole
CID 73439979
2-[6-[(1-Methylsulfonylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131553
N,N-dimethyl-3-[[6-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]pyrrolidine-1-sulfonamide
CID 110131554
2-[5-(1-Propan-2-ylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 110131555
N,N-dimethyl-4-[5-(1,3-oxazol-2-yl)pyrazin-2-yl]piperidine-1-sulfonamide
CID 110131556
2-(5-Piperidin-3-ylpyrazin-2-yl)-1,3-oxazole
CID 110131557
2-[5-(1-Methylsulfonylpiperidin-3-yl)pyrazin-2-yl]-1,3-oxazole
CID 110131558
2-[6-[(1-Methylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131559
2-[6-[(1-Methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131560
1-[4-[[5-(1,3-Oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110131561
2-[5-[(1-Propan-2-ylpyrrolidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131562

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole (CID 110131569) is 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole is CS(=O)(=O)N1CCC(c2cncc(-c3ncco3)n2)CC1.
What is the InChIKey of 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole?
The InChIKey is UHOGHZXIRXMVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-21(18,19)17-5-2-10(3-6-17)11-8-14-9-12(16-11)13-15-4-7-20-13/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole?
2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole has a molecular weight of 308.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 110131569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).