5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one

C13H17NO3 — CID 15326684

IUPAC5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one
SMILESCCC1(C)OC(c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C13H17NO3/c1-4-13(2)12(15)14-11(17-13)9-5-7-10(16-3)8-6-9/h5-8,11H,4H2,1-3H3,(H,14,15)
InChIKeyBPUXROKMVSWGFY-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.01
Rot. Bonds3

About 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one

5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one (PubChem CID 15326684) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one
PubChem CID15326684
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one
SMILESCCC1(C)OC(c2ccc(OC)cc2)NC1=O
InChIInChI=1S/C13H17NO3/c1-4-13(2)12(15)14-11(17-13)9-5-7-10(16-3)8-6-9/h5-8,11H,4H2,1-3H3,(H,14,15)
InChIKeyBPUXROKMVSWGFY-UHFFFAOYSA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(4S)-4-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidin-2-one
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CID 171185502
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CID 65102002
ethyl (2S,3R)-3-(4-methoxyphenyl)-2-methyloxirane-2-carboxylate
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(8R)-8-(4-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 7332817
1-ethyl-5-(4-methoxyphenyl)-3,3-dimethylpyrrolidine-2,4-dione
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5-ethyl-5-(4-methoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 82098506
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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one?
The IUPAC name of 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one (CID 15326684) is 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one?
The canonical SMILES for 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one is CCC1(C)OC(c2ccc(OC)cc2)NC1=O.
What is the InChIKey of 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one?
The InChIKey is BPUXROKMVSWGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-13(2)12(15)14-11(17-13)9-5-7-10(16-3)8-6-9/h5-8,11H,4H2,1-3H3,(H,14,15).
What are the key properties of 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one?
5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one has a molecular weight of 235.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(4-methoxyphenyl)-5-methyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 15326684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).