2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole

C13H16N4O3S — CID 124976826

IUPAC2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC[C@@H](c2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C13H16N4O3S/c1-21(18,19)17-5-2-3-10(9-17)11-7-16-12(8-15-11)13-14-4-6-20-13/h4,6-8,10H,2-3,5,9H2,1H3/t10-/m1/s1
InChIKeyLIEYPHKTHGPRQN-SNVBAGLBSA-N
MW308.36 g/mol
LogP1.27
Rot. Bonds3

About 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole

2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole (PubChem CID 124976826) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
PubChem CID124976826
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
SMILESCS(=O)(=O)N1CCC[C@@H](c2cnc(-c3ncco3)cn2)C1
InChIInChI=1S/C13H16N4O3S/c1-21(18,19)17-5-2-3-10(9-17)11-7-16-12(8-15-11)13-14-4-6-20-13/h4,6-8,10H,2-3,5,9H2,1H3/t10-/m1/s1
InChIKeyLIEYPHKTHGPRQN-SNVBAGLBSA-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-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131565
2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
CID 125014070
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
2-(1-ethylpyrazol-4-yl)-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 127246053
2-(1-ethylpyrazol-4-yl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124994871
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-(1-propan-2-ylpyrazol-4-yl)pyrazine
CID 124986244
2-(1-methylsulfonylpiperidin-3-yl)-5-(1-propylpyrazol-4-yl)pyrazine
CID 110102339
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-[6-(1-methylsulfonylpiperidin-4-yl)pyrazin-2-yl]-1,3-oxazole
CID 110131569
N-methyl-3-[5-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]propanamide
CID 95826583
2-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]-1,3-thiazole
CID 124982395

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole?
The IUPAC name of 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole (CID 124976826) is 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole is CS(=O)(=O)N1CCC[C@@H](c2cnc(-c3ncco3)cn2)C1.
What is the InChIKey of 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole?
The InChIKey is LIEYPHKTHGPRQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-21(18,19)17-5-2-3-10(9-17)11-7-16-12(8-15-11)13-14-4-6-20-13/h4,6-8,10H,2-3,5,9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole?
2-[5-[(3R)-1-methylsulfonylpiperidin-3-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-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole is sourced from PubChem (CID 124976826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).