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

C18H23N5O3 — CID 110116932

IUPACN-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(CC2CCN(C(=O)c3ocnc3C)CC2)cn1
InChIInChI=1S/C18H23N5O3/c1-12-17(26-11-22-12)18(25)23-5-3-14(4-6-23)7-15-8-21-16(10-20-15)9-19-13(2)24/h8,10-11,14H,3-7,9H2,1-2H3,(H,19,24)
InChIKeyHIAPXGMMZJPYAL-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.50
Rot. Bonds5

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

N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide (PubChem CID 110116932) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
PubChem CID110116932
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(CC2CCN(C(=O)c3ocnc3C)CC2)cn1
InChIInChI=1S/C18H23N5O3/c1-12-17(26-11-22-12)18(25)23-5-3-14(4-6-23)7-15-8-21-16(10-20-15)9-19-13(2)24/h8,10-11,14H,3-7,9H2,1-2H3,(H,19,24)
InChIKeyHIAPXGMMZJPYAL-UHFFFAOYSA-N
XLogP1.50
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide (CID 110116932) is N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide is CC(=O)NCc1cnc(CC2CCN(C(=O)c3ocnc3C)CC2)cn1.
What is the InChIKey of N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
The InChIKey is HIAPXGMMZJPYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12-17(26-11-22-12)18(25)23-5-3-14(4-6-23)7-15-8-21-16(10-20-15)9-19-13(2)24/h8,10-11,14H,3-7,9H2,1-2H3,(H,19,24).
What are the key properties of N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide?
N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide is sourced from PubChem (CID 110116932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).