methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate

C16H24N2O5 — CID 164601817

IUPACmethyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1ncc(CC2CCN(C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-7-5-11(6-8-18)9-12-10-17-13(22-12)14(19)21-4/h10-11H,5-9H2,1-4H3
InChIKeyDJEUPBODBLLFIO-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.65
Rot. Bonds3

About methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate

methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate (PubChem CID 164601817) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate
PubChem CID164601817
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate
SMILESCOC(=O)c1ncc(CC2CCN(C(=O)OC(C)(C)C)CC2)o1
InChIInChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-7-5-11(6-8-18)9-12-10-17-13(22-12)14(19)21-4/h10-11H,5-9H2,1-4H3
InChIKeyDJEUPBODBLLFIO-UHFFFAOYSA-N
XLogP2.65
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate?
The IUPAC name of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate (CID 164601817) is methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate?
The canonical SMILES for methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate is COC(=O)c1ncc(CC2CCN(C(=O)OC(C)(C)C)CC2)o1.
What is the InChIKey of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate?
The InChIKey is DJEUPBODBLLFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-16(2,3)23-15(20)18-7-5-11(6-8-18)9-12-10-17-13(22-12)14(19)21-4/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate?
methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]-1,3-oxazole-2-carboxylate is sourced from PubChem (CID 164601817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).