3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one

C19H21NO6 — CID 59580236

IUPAC3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(OCC2CN(c3ccccc3)C(=O)O2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-22-16-9-14(10-17(23-2)18(16)24-3)25-12-15-11-20(19(21)26-15)13-7-5-4-6-8-13/h4-10,15H,11-12H2,1-3H3
InChIKeyDHFAFBDCOODHKR-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.12
Rot. Bonds7

About 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one

3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one (PubChem CID 59580236) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
PubChem CID59580236
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(OCC2CN(c3ccccc3)C(=O)O2)cc(OC)c1OC
InChIInChI=1S/C19H21NO6/c1-22-16-9-14(10-17(23-2)18(16)24-3)25-12-15-11-20(19(21)26-15)13-7-5-4-6-8-13/h4-10,15H,11-12H2,1-3H3
InChIKeyDHFAFBDCOODHKR-UHFFFAOYSA-N
XLogP3.12
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one (CID 59580236) is 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one is COc1cc(OCC2CN(c3ccccc3)C(=O)O2)cc(OC)c1OC.
What is the InChIKey of 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
The InChIKey is DHFAFBDCOODHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-22-16-9-14(10-17(23-2)18(16)24-3)25-12-15-11-20(19(21)26-15)13-7-5-4-6-8-13/h4-10,15H,11-12H2,1-3H3.
What are the key properties of 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one?
3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one has a molecular weight of 359.38 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-[(3,4,5-trimethoxyphenoxy)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).