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

C18H22N2O5S — CID 20906318

IUPACethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COCc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(22)13-5-3-7-20(10-13)17(21)12-23-11-14-9-15(25-19-14)16-6-4-8-26-16/h4,6,8-9,13H,2-3,5,7,10-12H2,1H3
InChIKeyROFPDXDUPZZMPD-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-3-carboxylate

ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate (PubChem CID 20906318) 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-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate
PubChem CID20906318
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-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)COCc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C18H22N2O5S/c1-2-24-18(22)13-5-3-7-20(10-13)17(21)12-23-11-14-9-15(25-19-14)16-6-4-8-26-16/h4,6,8-9,13H,2-3,5,7,10-12H2,1H3
InChIKeyROFPDXDUPZZMPD-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-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-4-carboxylate
CID 20906343
1-(2-methylpiperidin-1-yl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906301
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]ethanone
CID 20906358
ethyl (3R)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxylate
CID 51681583
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 92722005
ethyl 1-[1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carbonyl]piperidine-3-carboxylate
CID 42761799
ethyl (3S)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 42594524
N-[2-(azepan-1-yl)ethyl]-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
CID 20906368
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
1-(azepan-1-yl)-2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]ethanone
CID 20906381

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate (CID 20906318) is ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)COCc2cc(-c3cccs3)on2)C1.
What is the InChIKey of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate?
The InChIKey is ROFPDXDUPZZMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-2-24-18(22)13-5-3-7-20(10-13)17(21)12-23-11-14-9-15(25-19-14)16-6-4-8-26-16/h4,6,8-9,13H,2-3,5,7,10-12H2,1H3.
What are the key properties of ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetyl]piperidine-3-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-3-carboxylate is sourced from PubChem (CID 20906318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).