2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone

C13H17NO3 — CID 110746558

IUPAC2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCOC2)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12-5-3-11(4-6-12)9-13(15)14-7-8-16-10-14/h3-6H,2,7-10H2,1H3
InChIKeyLNLZAPUOVJMOBI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.44
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone

2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone (PubChem CID 110746558) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
PubChem CID110746558
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
SMILESCCOc1ccc(CC(=O)N2CCOC2)cc1
InChIInChI=1S/C13H17NO3/c1-2-17-12-5-3-11(4-6-12)9-13(15)14-7-8-16-10-14/h3-6H,2,7-10H2,1H3
InChIKeyLNLZAPUOVJMOBI-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
2-(4-ethoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110428417
1-(4-aminopiperazin-1-yl)-2-(4-ethoxyphenyl)ethanone
CID 82365897
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110743455
2-(4-ethoxyphenyl)-1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 55461138
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
1-[2-(4-ethoxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 43238969
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925
2-(4-ethoxyphenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95348538
2-(4-ethoxyphenyl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43403279

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone (CID 110746558) is 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone is CCOc1ccc(CC(=O)N2CCOC2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone?
The InChIKey is LNLZAPUOVJMOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-2-17-12-5-3-11(4-6-12)9-13(15)14-7-8-16-10-14/h3-6H,2,7-10H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone?
2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone has a molecular weight of 235.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone is sourced from PubChem (CID 110746558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).