3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

C13H15NO4 — CID 143433402

IUPAC3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C13H15NO4/c1-17-11-5-2-10(3-6-11)4-7-12(15)14-8-9-18-13(14)16/h2-3,5-6H,4,7-9H2,1H3
InChIKeyYFCFZNQSAIVXSO-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.61
Rot. Bonds4

About 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one

3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (PubChem CID 143433402) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
PubChem CID143433402
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C13H15NO4/c1-17-11-5-2-10(3-6-11)4-7-12(15)14-8-9-18-13(14)16/h2-3,5-6H,4,7-9H2,1H3
InChIKeyYFCFZNQSAIVXSO-UHFFFAOYSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-one
CID 101318471
1-[3-(4-methoxyphenyl)propanoyl]pyrrolidin-2-one
CID 102373052
1-(6-acetyl-2,3-dihydro-1,4-benzoxazin-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 110737770
1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide
CID 134924177
5-bromo-1-[3-(4-methoxyphenyl)propanoyl]-2,3-dihydropyridin-6-one
CID 153363857
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 110365914
3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane
CID 144585780
1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
3-(4-methoxyphenyl)-1-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 95985961
3-(4-methoxyphenyl)-1-[4-[3-(4-methoxyphenyl)propanoyl]-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 4229113

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one (CID 143433402) is 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is COc1ccc(CCC(=O)N2CCOC2=O)cc1.
What is the InChIKey of 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
The InChIKey is YFCFZNQSAIVXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-11-5-2-10(3-6-11)4-7-12(15)14-8-9-18-13(14)16/h2-3,5-6H,4,7-9H2,1H3.
What are the key properties of 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one?
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one has a molecular weight of 249.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143433402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).