3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one

C18H19N5O3 — CID 11337143

IUPAC3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(-c3cnco3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C18H19N5O3/c19-17-18(25)23(12-2-1-5-20-7-12)9-14(22-17)13-6-11(3-4-15(13)24)16-8-21-10-26-16/h3-4,6,8-10,12,20,24H,1-2,5,7H2,(H2,19,22)
InChIKeyIISYVFVUNJJDIM-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one

3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one (PubChem CID 11337143) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one.

Molecular Properties

Compound Name3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one
PubChem CID11337143
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one
SMILESNc1nc(-c2cc(-c3cnco3)ccc2O)cn(C2CCCNC2)c1=O
InChIInChI=1S/C18H19N5O3/c19-17-18(25)23(12-2-1-5-20-7-12)9-14(22-17)13-6-11(3-4-15(13)24)16-8-21-10-26-16/h3-4,6,8-10,12,20,24H,1-2,5,7H2,(H2,19,22)
InChIKeyIISYVFVUNJJDIM-UHFFFAOYSA-N
XLogP1.78
TPSA119.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
The IUPAC name of 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one (CID 11337143) is 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one.
What is the SMILES notation for 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
The canonical SMILES for 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one is Nc1nc(-c2cc(-c3cnco3)ccc2O)cn(C2CCCNC2)c1=O.
What is the InChIKey of 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
The InChIKey is IISYVFVUNJJDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c19-17-18(25)23(12-2-1-5-20-7-12)9-14(22-17)13-6-11(3-4-15(13)24)16-8-21-10-26-16/h3-4,6,8-10,12,20,24H,1-2,5,7H2,(H2,19,22).
What are the key properties of 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one?
3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one has a molecular weight of 353.38 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-hydroxy-5-(1,3-oxazol-5-yl)phenyl]-1-piperidin-3-ylpyrazin-2-one is sourced from PubChem (CID 11337143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).