5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C16H22N4O2 — CID 126940857

IUPAC5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ocnc1CN1CCC(Cn2cncc(C)c2=O)CC1
InChIInChI=1S/C16H22N4O2/c1-12-7-17-10-20(16(12)21)8-14-3-5-19(6-4-14)9-15-13(2)22-11-18-15/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyQALOAVLSTKEYDC-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.76
Rot. Bonds4

About 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126940857) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126940857
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ocnc1CN1CCC(Cn2cncc(C)c2=O)CC1
InChIInChI=1S/C16H22N4O2/c1-12-7-17-10-20(16(12)21)8-14-3-5-19(6-4-14)9-15-13(2)22-11-18-15/h7,10-11,14H,3-6,8-9H2,1-2H3
InChIKeyQALOAVLSTKEYDC-UHFFFAOYSA-N
XLogP1.76
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940726
3-(cyclobutylmethyl)-5-methylpyrimidin-4-one
CID 126857617
5-methyl-3-[[1-(oxan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940921
3-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940725
3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940860
5-methyl-3-[[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940731
5,6-dimethyl-3-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941307
3-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940891
5,6-dimethyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941282
5-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126940641
3-[[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940591
5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941297

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126940857) is 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ocnc1CN1CCC(Cn2cncc(C)c2=O)CC1.
What is the InChIKey of 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is QALOAVLSTKEYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-7-17-10-20(16(12)21)8-14-3-5-19(6-4-14)9-15-13(2)22-11-18-15/h7,10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?
5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 302.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126940857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).