3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C17H24N4O2 — CID 126942298

IUPAC3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(Cc3cnoc3)CC2)cn1
InChIInChI=1S/C17H24N4O2/c1-13(2)16-7-17(22)21(12-18-16)10-14-3-5-20(6-4-14)9-15-8-19-23-11-15/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyGWYDFZFYMYXLAQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.27
Rot. Bonds5

About 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942298) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942298
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)c1cc(=O)n(CC2CCN(Cc3cnoc3)CC2)cn1
InChIInChI=1S/C17H24N4O2/c1-13(2)16-7-17(22)21(12-18-16)10-14-3-5-20(6-4-14)9-15-8-19-23-11-15/h7-8,11-14H,3-6,9-10H2,1-2H3
InChIKeyGWYDFZFYMYXLAQ-UHFFFAOYSA-N
XLogP2.27
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

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Related Compounds

3-[[1-(1,2-oxazol-4-ylsulfonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942181
6-propan-2-yl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942129
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942124
3-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942206
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942346
6-(difluoromethyl)-3-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944047
3-[[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942238
3-[[1-(5-methyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942009
3-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944006
3-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942255
6-propan-2-yl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942272

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942298) is 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)c1cc(=O)n(CC2CCN(Cc3cnoc3)CC2)cn1.
What is the InChIKey of 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is GWYDFZFYMYXLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(2)16-7-17(22)21(12-18-16)10-14-3-5-20(6-4-14)9-15-8-19-23-11-15/h7-8,11-14H,3-6,9-10H2,1-2H3.
What are the key properties of 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 316.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).