ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate

C11H14N2O3 — CID 58296122

IUPACethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C2=CCNCC2)n1
InChIInChI=1S/C11H14N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h3,7,12H,2,4-6H2,1H3
InChIKeyVWUCLAKKINGQAQ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.23
Rot. Bonds3

About ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate

ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate (PubChem CID 58296122) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate
PubChem CID58296122
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(C2=CCNCC2)n1
InChIInChI=1S/C11H14N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h3,7,12H,2,4-6H2,1H3
InChIKeyVWUCLAKKINGQAQ-UHFFFAOYSA-N
XLogP1.23
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-oxazole-4-carboxylate
CID 71289099
ethyl 2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 171366901
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
CID 25215536
ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377425
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-(3-methylbut-2-enylamino)-1,3-oxazole-4-carboxylate
CID 106189842
2-acetyloxyethyl 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 70609905
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 2-(methyliminomethyl)-1,3-oxazole-4-carboxylate
CID 163648530
ethyl 2-(4-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377091
ethyl 2-(5-fluoro-2-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 142693900

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate (CID 58296122) is ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(C2=CCNCC2)n1.
What is the InChIKey of ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate?
The InChIKey is VWUCLAKKINGQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-15-11(14)9-7-16-10(13-9)8-3-5-12-6-4-8/h3,7,12H,2,4-6H2,1H3.
What are the key properties of ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate?
ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 58296122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).