N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

C17H21N5O3 — CID 110112298

IUPACN-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(C(=O)c2ocnc2C)CC1
InChIInChI=1S/C17H21N5O3/c1-11-16(25-10-21-11)17(24)22-7-3-13(4-8-22)15-14(9-20-12(2)23)18-5-6-19-15/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,20,23)
InChIKeyTVXGSQRFHALNRL-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.43
Rot. Bonds4

About N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide

N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110112298) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
PubChem CID110112298
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1nccnc1C1CCN(C(=O)c2ocnc2C)CC1
InChIInChI=1S/C17H21N5O3/c1-11-16(25-10-21-11)17(24)22-7-3-13(4-8-22)15-14(9-20-12(2)23)18-5-6-19-15/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,20,23)
InChIKeyTVXGSQRFHALNRL-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-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide (CID 110112298) is N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1nccnc1C1CCN(C(=O)c2ocnc2C)CC1.
What is the InChIKey of N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is TVXGSQRFHALNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-11-16(25-10-21-11)17(24)22-7-3-13(4-8-22)15-14(9-20-12(2)23)18-5-6-19-15/h5-6,10,13H,3-4,7-9H2,1-2H3,(H,20,23).
What are the key properties of N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide?
N-[[3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide 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-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110112298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).