2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole

C12H14N4O — CID 110131557

IUPAC2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole
SMILESc1coc(-c2cnc(C3CCCNC3)cn2)n1
InChIInChI=1S/C12H14N4O/c1-2-9(6-13-3-1)10-7-16-11(8-15-10)12-14-4-5-17-12/h4-5,7-9,13H,1-3,6H2
InChIKeyMEJUTTVVOHNLCD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.60
Rot. Bonds2

About 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole

2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole (PubChem CID 110131557) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole
PubChem CID110131557
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole
SMILESc1coc(-c2cnc(C3CCCNC3)cn2)n1
InChIInChI=1S/C12H14N4O/c1-2-9(6-13-3-1)10-7-16-11(8-15-10)12-14-4-5-17-12/h4-5,7-9,13H,1-3,6H2
InChIKeyMEJUTTVVOHNLCD-UHFFFAOYSA-N
XLogP1.60
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole?
The IUPAC name of 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole (CID 110131557) is 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole is c1coc(-c2cnc(C3CCCNC3)cn2)n1.
What is the InChIKey of 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole?
The InChIKey is MEJUTTVVOHNLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-2-9(6-13-3-1)10-7-16-11(8-15-10)12-14-4-5-17-12/h4-5,7-9,13H,1-3,6H2.
What are the key properties of 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole?
2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole has a molecular weight of 230.27 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-3-ylpyrazin-2-yl)-1,3-oxazole is sourced from PubChem (CID 110131557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).