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

C19H33NO6 — CID 163052450

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

(4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 163052450) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 163052450
• Molecular Formula: C19H33NO6
• Molecular Weight: 371.47 g/mol
• Exact Mass: 371.23
• IUPAC Name: (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CCOC(C)O[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@@]1(C)O[C@@H]1CC
• 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/t12-,13?,14-,15-,16-,19+/m1/s1
• InChIKey: FGIJDCWFUDPZRD-SLHDZHHBSA-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 (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 163052450) is (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CCOC(C)O[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@@H]1C(C)C)[C@@]1(C)O[C@@H]1CC.

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

The InChIKey is FGIJDCWFUDPZRD-SLHDZHHBSA-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/t12-,13?,14-,15-,16-,19+/m1/s1.

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

(4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-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 (4S)-3-[(2R,3R)-3-(1-ethoxyethoxy)-3-[(2S,3R)-3-ethyl-2-methyloxiran-2-yl]-2-methylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 163052450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).