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

C22H23NO6 — CID 70944339

IUPAC3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)c(C2OCCO2)c1
InChIInChI=1S/C22H23NO6/c1-26-17-9-7-15(18(13-17)21-27-11-12-28-21)8-10-20(24)23-19(14-29-22(23)25)16-5-3-2-4-6-16/h2-7,9,13,19,21H,8,10-12,14H2,1H3
InChIKeyGXWYJMCXZBPXEO-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.39
Rot. Bonds6

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

3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 70944339) has the molecular formula C22H23NO6 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID70944339
Molecular FormulaC22H23NO6
Molecular Weight397.43 g/mol
Exact Mass397.15
IUPAC Name3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)c(C2OCCO2)c1
InChIInChI=1S/C22H23NO6/c1-26-17-9-7-15(18(13-17)21-27-11-12-28-21)8-10-20(24)23-19(14-29-22(23)25)16-5-3-2-4-6-16/h2-7,9,13,19,21H,8,10-12,14H2,1H3
InChIKeyGXWYJMCXZBPXEO-UHFFFAOYSA-N
XLogP3.39
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 70944339) is 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc(CCC(=O)N2C(=O)OCC2c2ccccc2)c(C2OCCO2)c1.
What is the InChIKey of 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GXWYJMCXZBPXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO6/c1-26-17-9-7-15(18(13-17)21-27-11-12-28-21)8-10-20(24)23-19(14-29-22(23)25)16-5-3-2-4-6-16/h2-7,9,13,19,21H,8,10-12,14H2,1H3.
What are the key properties of 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 397.43 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 70944339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).