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

C17H23N5O4 — CID 131898730

IUPACN-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(N2CCC(CNC(=O)c3cc(C)on3)CC2)nc(OC)n1
InChIInChI=1S/C17H23N5O4/c1-11-8-13(21-26-11)16(23)18-10-12-4-6-22(7-5-12)14-9-15(24-2)20-17(19-14)25-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,23)
InChIKeyQTZMPZMBJRBLGG-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.44
Rot. Bonds6

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

N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 131898730) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID131898730
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(N2CCC(CNC(=O)c3cc(C)on3)CC2)nc(OC)n1
InChIInChI=1S/C17H23N5O4/c1-11-8-13(21-26-11)16(23)18-10-12-4-6-22(7-5-12)14-9-15(24-2)20-17(19-14)25-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,23)
InChIKeyQTZMPZMBJRBLGG-UHFFFAOYSA-N
XLogP1.44
TPSA102.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 131898730) is N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is COc1cc(N2CCC(CNC(=O)c3cc(C)on3)CC2)nc(OC)n1.
What is the InChIKey of N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QTZMPZMBJRBLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-11-8-13(21-26-11)16(23)18-10-12-4-6-22(7-5-12)14-9-15(24-2)20-17(19-14)25-3/h8-9,12H,4-7,10H2,1-3H3,(H,18,23).
What are the key properties of N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 361.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dimethoxypyrimidin-4-yl)piperidin-4-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 131898730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).