1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

C15H18N4O2 — CID 110131561

IUPAC1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3ncco3)cn2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-5-2-12(3-6-19)8-13-9-18-14(10-17-13)15-16-4-7-21-15/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyKONQKVVTGQXLMH-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.93
Rot. Bonds3

About 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 110131561) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID110131561
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3ncco3)cn2)CC1
InChIInChI=1S/C15H18N4O2/c1-11(20)19-5-2-12(3-6-19)8-13-9-18-14(10-17-13)15-16-4-7-21-15/h4,7,9-10,12H,2-3,5-6,8H2,1H3
InChIKeyKONQKVVTGQXLMH-UHFFFAOYSA-N
XLogP1.93
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazin-2-yl]-1,3-oxazole
CID 110131565
2-[5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazin-2-yl]-1,3-oxazole
CID 125014070
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124949279
4-[5-[[(3S)-1-acetylpyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 124983560
1-[(3S)-3-[[5-(5-methyl-1H-pyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124971600
1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102411
1-[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662559
1-[(3R)-3-[[5-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125002279
3-[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]-4-methyl-1,3-oxazolidin-2-one
CID 110099031
1-[(3R)-3-[[5-(2-propan-2-ylpyrazol-3-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023056
2,2-dimethyl-1-[(3R)-3-[[5-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]propan-1-one
CID 124969820
N-[[5-[(1-acetylpiperidin-4-yl)methyl]pyrazin-2-yl]methyl]benzamide
CID 110095519

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (CID 110131561) is 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cnc(-c3ncco3)cn2)CC1.
What is the InChIKey of 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is KONQKVVTGQXLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-11(20)19-5-2-12(3-6-19)8-13-9-18-14(10-17-13)15-16-4-7-21-15/h4,7,9-10,12H,2-3,5-6,8H2,1H3.
What are the key properties of 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 286.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(1,3-oxazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110131561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).