methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate

C12H16N2O5 — CID 90573723

IUPACmethyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(OC)no2)CC1
InChIInChI=1S/C12H16N2O5/c1-17-10-7-9(19-13-10)11(15)14-5-3-8(4-6-14)12(16)18-2/h7-8H,3-6H2,1-2H3
InChIKeyXKRYONBHLMXOEZ-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.71
Rot. Bonds3

About methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate

methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate (PubChem CID 90573723) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
PubChem CID90573723
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namemethyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(OC)no2)CC1
InChIInChI=1S/C12H16N2O5/c1-17-10-7-9(19-13-10)11(15)14-5-3-8(4-6-14)12(16)18-2/h7-8H,3-6H2,1-2H3
InChIKeyXKRYONBHLMXOEZ-UHFFFAOYSA-N
XLogP0.71
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate (CID 90573723) is methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(OC)no2)CC1.
What is the InChIKey of methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate?
The InChIKey is XKRYONBHLMXOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-17-10-7-9(19-13-10)11(15)14-5-3-8(4-6-14)12(16)18-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate has a molecular weight of 268.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 90573723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).