3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C18H24N4O3 — CID 126941064

IUPAC3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1noc(C)c1C(=O)N1CCC(Cn2cnc(C)c(C)c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-11-12(2)19-10-22(17(11)23)9-15-5-7-21(8-6-15)18(24)16-13(3)20-25-14(16)4/h10,15H,5-9H2,1-4H3
InChIKeyZTYNHXKMAYBPRB-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.02
Rot. Bonds3

About 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941064) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941064
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1noc(C)c1C(=O)N1CCC(Cn2cnc(C)c(C)c2=O)CC1
InChIInChI=1S/C18H24N4O3/c1-11-12(2)19-10-22(17(11)23)9-15-5-7-21(8-6-15)18(24)16-13(3)20-25-14(16)4/h10,15H,5-9H2,1-4H3
InChIKeyZTYNHXKMAYBPRB-UHFFFAOYSA-N
XLogP2.02
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one with MolForge

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Related Compounds

6-(difluoromethyl)-3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943817
3-[[1-(1,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941103
5,6-dimethyl-3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941072
3-[[1-(1H-indole-3-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941047
3-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]propanoic acid
CID 62215789
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-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
[4-(cyclopropylmethyl)-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-7-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 131652948
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941461
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidine-4-carbonitrile
CID 49063486
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-ethoxyphenoxy)piperidin-1-yl]methanone
CID 56819044
(7-tert-butyl-1,4-oxazepan-4-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 138009760

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941064) is 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1noc(C)c1C(=O)N1CCC(Cn2cnc(C)c(C)c2=O)CC1.
What is the InChIKey of 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is ZTYNHXKMAYBPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-12(2)19-10-22(17(11)23)9-15-5-7-21(8-6-15)18(24)16-13(3)20-25-14(16)4/h10,15H,5-9H2,1-4H3.
What are the key properties of 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 344.42 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).