3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane

C16H23NO5 — CID 144585780

IUPAC3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane
SMILESCCC.COc1cc(CC(=O)N2CCOC2=O)cc(OC)c1
InChIInChI=1S/C13H15NO5.C3H8/c1-17-10-5-9(6-11(8-10)18-2)7-12(15)14-3-4-19-13(14)16;1-3-2/h5-6,8H,3-4,7H2,1-2H3;3H2,1-2H3
InChIKeyYRMLPAIJXMCWOS-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.64
Rot. Bonds4

About 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane

3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane (PubChem CID 144585780) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane.

Molecular Properties

Compound Name3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane
PubChem CID144585780
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane
SMILESCCC.COc1cc(CC(=O)N2CCOC2=O)cc(OC)c1
InChIInChI=1S/C13H15NO5.C3H8/c1-17-10-5-9(6-11(8-10)18-2)7-12(15)14-3-4-19-13(14)16;1-3-2/h5-6,8H,3-4,7H2,1-2H3;3H2,1-2H3
InChIKeyYRMLPAIJXMCWOS-UHFFFAOYSA-N
XLogP2.64
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 102525452
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 6070620
3-(3-ethylpentanoyl)-1,3-oxazolidin-2-one
CID 15521538
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110714305
3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
CID 8880784
1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide
CID 134924177
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,4-dimethoxybenzoate
CID 8649073
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 3,5-dichloro-4-methoxybenzoate
CID 9126378
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
1-(2-oxo-1,3-oxazolidin-3-yl)hexane-1,3-dione
CID 25146758
2-(3,5-dimethoxyphenyl)-1-[2-[(4-methoxyphenoxy)methyl]morpholin-4-yl]ethanone
CID 46100167

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane?
The IUPAC name of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane (CID 144585780) is 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane.
What is the SMILES notation for 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane?
The canonical SMILES for 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane is CCC.COc1cc(CC(=O)N2CCOC2=O)cc(OC)c1.
What is the InChIKey of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane?
The InChIKey is YRMLPAIJXMCWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5.C3H8/c1-17-10-5-9(6-11(8-10)18-2)7-12(15)14-3-4-19-13(14)16;1-3-2/h5-6,8H,3-4,7H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane?
3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane has a molecular weight of 309.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane is sourced from PubChem (CID 144585780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).