1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone

C17H22N4O2 — CID 95815297

IUPAC1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(Nc3cc(C)on3)n2)CC1
InChIInChI=1S/C17H22N4O2/c1-12-10-17(20-23-12)19-16-5-3-4-15(18-16)11-14-6-8-21(9-7-14)13(2)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,19,20)
InChIKeyNXNNVXZYECSNRI-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.92
Rot. Bonds4

About 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone

1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone (PubChem CID 95815297) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone
PubChem CID95815297
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cccc(Nc3cc(C)on3)n2)CC1
InChIInChI=1S/C17H22N4O2/c1-12-10-17(20-23-12)19-16-5-3-4-15(18-16)11-14-6-8-21(9-7-14)13(2)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,19,20)
InChIKeyNXNNVXZYECSNRI-UHFFFAOYSA-N
XLogP2.92
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-[[6-(cyclopentylamino)-2-pyridinyl]methyl]pyrrolidin-1-yl]ethanone
CID 110090129
1-[4-[[6-(5-methyl-1H-pyrazol-3-yl)-2-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 110101867
1-[(4S)-4-[[6-(2-methoxyethylamino)-2-pyridinyl]methyl]azepan-1-yl]ethanone
CID 95825077
1-[(4R)-4-[(6-bromo-2-pyridinyl)methyl]azepan-1-yl]ethanone
CID 95804470
1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843641
1-[(4R)-4-[[6-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-pyridinyl]methyl]azepan-1-yl]ethanone
CID 129387128
2-methyl-1-[4-[[6-[(6-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]propan-1-one
CID 95843498
1-(4-benzylpiperidine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108980011
1-[4-[4-[(5-methyl-1,2-oxazol-3-yl)amino]-6-phenylpyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112936718
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
(5R)-3-[6-[(1-acetylpiperidin-4-yl)methyl]-2-pyridinyl]-5-methyl-1,3-oxazolidin-2-one
CID 124960687

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone (CID 95815297) is 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cccc(Nc3cc(C)on3)n2)CC1.
What is the InChIKey of 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
The InChIKey is NXNNVXZYECSNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-10-17(20-23-12)19-16-5-3-4-15(18-16)11-14-6-8-21(9-7-14)13(2)22/h3-5,10,14H,6-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone?
1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 314.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-pyridinyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95815297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).