N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C18H25N5O4 — CID 131914815

IUPACN-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(CNC(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C18H25N5O4/c1-11-16(12(2)27-22-11)17(24)19-10-13-5-7-23(8-6-13)18-20-14(25-3)9-15(21-18)26-4/h9,13H,5-8,10H2,1-4H3,(H,19,24)
InChIKeyQGGYOBKPMKZQJA-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.75
Rot. Bonds6

About N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 131914815) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID131914815
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC NameN-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cc(OC)nc(N2CCC(CNC(=O)c3c(C)noc3C)CC2)n1
InChIInChI=1S/C18H25N5O4/c1-11-16(12(2)27-22-11)17(24)19-10-13-5-7-23(8-6-13)18-20-14(25-3)9-15(21-18)26-4/h9,13H,5-8,10H2,1-4H3,(H,19,24)
InChIKeyQGGYOBKPMKZQJA-UHFFFAOYSA-N
XLogP1.75
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

(2R)-N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]oxolane-2-carboxamide
CID 131920373
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 115355317
3,5-dimethyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ylmethyl)-1,2-oxazole-4-carboxamide
CID 128966217
methyl 6-methoxy-2-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrimidine-4-carboxylate
CID 67209275
N-[[1-(2-amino-6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 131942655
1-[1-(4-methoxy-6-methylpyrimidin-2-yl)piperidin-4-yl]-N-methylmethanamine
CID 112634860
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122357215
3,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-1,2-oxazole-4-carboxamide
CID 129329002
N-(2-methoxyethyl)-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 43817666
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperidin-4-amine
CID 115354664
N-(2-cyclohexylethyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 39258382

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 131914815) is N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is COc1cc(OC)nc(N2CCC(CNC(=O)c3c(C)noc3C)CC2)n1.
What is the InChIKey of N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is QGGYOBKPMKZQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-11-16(12(2)27-22-11)17(24)19-10-13-5-7-23(8-6-13)18-20-14(25-3)9-15(21-18)26-4/h9,13H,5-8,10H2,1-4H3,(H,19,24).
What are the key properties of N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 131914815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).