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

C17H21N5O3 — CID 110095559

IUPACN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)c2coc(C)n2)CC1
InChIInChI=1S/C17H21N5O3/c1-11-21-15(10-25-11)17(24)20-9-14-16(19-6-5-18-14)13-3-7-22(8-4-13)12(2)23/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,20,24)
InChIKeyJRHCICYMDWQEPE-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.43
Rot. Bonds4

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

N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 110095559) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID110095559
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCC(=O)N1CCC(c2nccnc2CNC(=O)c2coc(C)n2)CC1
InChIInChI=1S/C17H21N5O3/c1-11-21-15(10-25-11)17(24)20-9-14-16(19-6-5-18-14)13-3-7-22(8-4-13)12(2)23/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,20,24)
InChIKeyJRHCICYMDWQEPE-UHFFFAOYSA-N
XLogP1.43
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.43
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]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 110095559) is N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide is CC(=O)N1CCC(c2nccnc2CNC(=O)c2coc(C)n2)CC1.
What is the InChIKey of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is JRHCICYMDWQEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-21-15(10-25-11)17(24)20-9-14-16(19-6-5-18-14)13-3-7-22(8-4-13)12(2)23/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,20,24).
What are the key properties of N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[[3-(1-acetylpiperidin-4-yl)pyrazin-2-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.43, 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]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 110095559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).