ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate

C18H22N2O5S — CID 20906343

IUPACethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COCc2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(22)13-5-7-20(8-6-13)17(21)12-23-11-14-10-15(25-19-14)16-4-3-9-26-16/h3-4,9-10,13H,2,5-8,11-12H2,1H3
InChIKeyXEVKOXFEMIYURQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.72
Rot. Bonds7

About ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate (PubChem CID 20906343) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate
PubChem CID20906343
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC Nameethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)COCc2cc(-c3cccs3)on2)CC1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(22)13-5-7-20(8-6-13)17(21)12-23-11-14-10-15(25-19-14)16-4-3-9-26-16/h3-4,9-10,13H,2,5-8,11-12H2,1H3
InChIKeyXEVKOXFEMIYURQ-UHFFFAOYSA-N
XLogP2.72
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate
CID 20906318
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906358
1-(2-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906301
1-[2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxamide
CID 16879586
ethyl 1-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)piperidine-4-carboxylate
CID 42762142
1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 17254280
ethyl 1-(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)piperidine-4-carboxylate
CID 35512800
1-[2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]acetyl]piperidine-4-carboxamide
CID 20906225
N-butyl-N-methyl-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906340
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92722005
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92722011
ethyl 1-(4-thiophen-2-ylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 100752330

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate (CID 20906343) is ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)COCc2cc(-c3cccs3)on2)CC1.
What is the InChIKey of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate?
The InChIKey is XEVKOXFEMIYURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-24-18(22)13-5-7-20(8-6-13)17(21)12-23-11-14-10-15(25-19-14)16-4-3-9-26-16/h3-4,9-10,13H,2,5-8,11-12H2,1H3.
What are the key properties of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate has a molecular weight of 378.45 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 20906343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).