N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide

C16H19N5O3 — CID 110117431

IUPACN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)c2cnco2)CC1
InChIInChI=1S/C16H19N5O3/c1-11(22)21-6-2-12(3-7-21)15-13(18-4-5-19-15)8-20-16(23)14-9-17-10-24-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,20,23)
InChIKeyGSGDALCOLBJAHM-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.12
Rot. Bonds4

About N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 110117431) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID110117431
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)c2cnco2)CC1
InChIInChI=1S/C16H19N5O3/c1-11(22)21-6-2-12(3-7-21)15-13(18-4-5-19-15)8-20-16(23)14-9-17-10-24-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,20,23)
InChIKeyGSGDALCOLBJAHM-UHFFFAOYSA-N
XLogP1.12
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide (CID 110117431) is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide is CC(=O)N1CCC(c2nccnc2CNC(=O)c2cnco2)CC1.
What is the InChIKey of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is GSGDALCOLBJAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11(22)21-6-2-12(3-7-21)15-13(18-4-5-19-15)8-20-16(23)14-9-17-10-24-14/h4-5,9-10,12H,2-3,6-8H2,1H3,(H,20,23).
What are the key properties of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide?
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 110117431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).