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

C15H22N2O5 — CID 66750821

IUPACmethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-7-5-10(6-8-17)12-11(13(18)20-4)16-9-21-12/h9-10H,5-8H2,1-4H3
InChIKeyXSOTYECYJRLFMJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.58
Rot. Bonds2

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

methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate (PubChem CID 66750821) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
PubChem CID66750821
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Namemethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-7-5-10(6-8-17)12-11(13(18)20-4)16-9-21-12/h9-10H,5-8H2,1-4H3
InChIKeyXSOTYECYJRLFMJ-UHFFFAOYSA-N
XLogP2.58
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.58
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]-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate (CID 66750821) is methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate is COC(=O)c1ncoc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
The InChIKey is XSOTYECYJRLFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-15(2,3)22-14(19)17-7-5-10(6-8-17)12-11(13(18)20-4)16-9-21-12/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate?
methyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.58, 2 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]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66750821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).