ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate

C11H16N2O3 — CID 117275252

IUPACethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CCCCN1
InChIInChI=1S/C11H16N2O3/c1-2-15-11(14)9-10(16-7-13-9)8-5-3-4-6-12-8/h7-8,12H,2-6H2,1H3
InChIKeyJJDCGUFWYLCLCN-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.67
Rot. Bonds3

About ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate

ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 117275252) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate
PubChem CID117275252
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1ncoc1C1CCCCN1
InChIInChI=1S/C11H16N2O3/c1-2-15-11(14)9-10(16-7-13-9)8-5-3-4-6-12-8/h7-8,12H,2-6H2,1H3
InChIKeyJJDCGUFWYLCLCN-UHFFFAOYSA-N
XLogP1.67
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-(2-methylcyclopentyl)-1,3-oxazole-4-carboxylate
CID 107183118
ethyl 5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-4-carboxylate
CID 65159628
ethyl 4-pyrrolidin-2-ylbenzoate
CID 146447328
ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate
CID 114704303
ethyl 4-ethyl-2-piperidin-2-yl-1,3-thiazole-5-carboxylate
CID 113459519
ethyl 2-[(2R)-pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 40611193
5-ethoxycarbonyl-4-[(2S)-pyrrolidin-2-yl]-1H-pyrazole-3-carboxylic acid
CID 53468888
ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
N-(7-chloro-8-methylquinolin-2-yl)-5-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 167859846
ethyl 4-pyrrolidin-2-ylthiophene-3-carboxylate
CID 114748147
ethyl 5-pyrimidin-2-yl-1,3-oxazole-4-carboxylate
CID 168859081

Frequently Asked Questions

What is the IUPAC name of ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate (CID 117275252) is ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate is CCOC(=O)c1ncoc1C1CCCCN1.
What is the InChIKey of ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is JJDCGUFWYLCLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-15-11(14)9-10(16-7-13-9)8-5-3-4-6-12-8/h7-8,12H,2-6H2,1H3.
What are the key properties of ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate?
ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-piperidin-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 117275252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).