3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one

C24H29NO6 — CID 23169504

IUPAC3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
SMILESCCC1(Cc2ccc(OCCN3CC(COc4ccccc4)OC3=O)cc2)OCCO1
InChIInChI=1S/C24H29NO6/c1-2-24(29-14-15-30-24)16-19-8-10-21(11-9-19)27-13-12-25-17-22(31-23(25)26)18-28-20-6-4-3-5-7-20/h3-11,22H,2,12-18H2,1H3
InChIKeyQGQMLHUOFHSDSO-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.66
Rot. Bonds10

About 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one

3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one (PubChem CID 23169504) has the molecular formula C24H29NO6 and a molecular weight of 427.50 g/mol. Its IUPAC name is 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
PubChem CID23169504
Molecular FormulaC24H29NO6
Molecular Weight427.50 g/mol
Exact Mass427.20
IUPAC Name3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one
SMILESCCC1(Cc2ccc(OCCN3CC(COc4ccccc4)OC3=O)cc2)OCCO1
InChIInChI=1S/C24H29NO6/c1-2-24(29-14-15-30-24)16-19-8-10-21(11-9-19)27-13-12-25-17-22(31-23(25)26)18-28-20-6-4-3-5-7-20/h3-11,22H,2,12-18H2,1H3
InChIKeyQGQMLHUOFHSDSO-UHFFFAOYSA-N
XLogP3.66
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one (CID 23169504) is 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one is CCC1(Cc2ccc(OCCN3CC(COc4ccccc4)OC3=O)cc2)OCCO1.
What is the InChIKey of 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is QGQMLHUOFHSDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO6/c1-2-24(29-14-15-30-24)16-19-8-10-21(11-9-19)27-13-12-25-17-22(31-23(25)26)18-28-20-6-4-3-5-7-20/h3-11,22H,2,12-18H2,1H3.
What are the key properties of 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one?
3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 427.50 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(2-ethyl-1,3-dioxolan-2-yl)methyl]phenoxy]ethyl]-5-(phenoxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23169504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).