3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C19H33NO6 — CID 163052449

About 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 163052449) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 163052449
• Molecular Formula: C19H33NO6
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.23
• IUPAC Name: 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CCOC(C)OC(C(C)C(=O)N1C(=O)OCC1C(C)C)C1(C)OC1CC
• InChI: InChI=1S/C19H33NO6/c1-8-15-19(7,26-15)16(25-13(6)23-9-2)12(5)17(21)20-14(11(3)4)10-24-18(20)22/h11-16H,8-10H2,1-7H3
• InChIKey: FGIJDCWFUDPZRD-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 77.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.47
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 163052449) is 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCOC(C)OC(C(C)C(=O)N1C(=O)OCC1C(C)C)C1(C)OC1CC.

What is the InChIKey of 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is FGIJDCWFUDPZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO6/c1-8-15-19(7,26-15)16(25-13(6)23-9-2)12(5)17(21)20-14(11(3)4)10-24-18(20)22/h11-16H,8-10H2,1-7H3.

What are the key properties of 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 371.47 g/mol, XLogP of 2.96, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(1-ethoxyethoxy)-3-(3-ethyl-2-methyloxiran-2-yl)-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163052449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).