4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

C67H92N6O20 — CID 158189854

About 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one

4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 158189854) has the molecular formula C67H92N6O20 and a molecular weight of 1301.49 g/mol. Its IUPAC name is 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 158189854
• Molecular Formula: C67H92N6O20
• Molecular Weight: 1301.49 g/mol
• Exact Mass: 1300.64
• IUPAC Name: 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CCC(=O)N1C(=O)OC(C)(C)C1C(C)C.CCC(=O)N1C(=O)OCC1C(C)C.CCC(=O)N1C(=O)OCC1c1ccccc1.CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.COCC(=O)N1C(=O)OCC1Cc1ccccc1.COCC(=O)N1C(=O)OC[C@H]1C(C)C
• InChI: InChI=1S/C13H15NO4.C13H15NO3.C12H13NO3.C11H19NO3.C9H15NO4.C9H15NO3/c1-17-9-12(15)14-11(8-18-13(14)16)7-10-5-3-2-4-6-10;1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10;1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9;1-6-8(13)12-9(7(2)3)11(4,5)15-10(12)14;1-6(2)7-4-14-9(12)10(7)8(11)5-13-3;1-4-8(11)10-7(6(2)3)5-13-9(10)12/h2-6,11H,7-9H2,1H3;4-9,12H,3H2,1-2H3;3-7,10H,2,8H2,1H3;7,9H,6H2,1-5H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3/t;9-,12-;;;7-;/m.1..0./s1
• InChIKey: FZPNYUGBQFWMNM-GQNDSSFUSA-N
• XLogP: 10.06
• TPSA: 298.12 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1301.49
LogP ≤ 5	10.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The IUPAC name of 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 158189854) is 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The canonical SMILES for 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC(C)(C)C1C(C)C.CCC(=O)N1C(=O)OCC1C(C)C.CCC(=O)N1C(=O)OCC1c1ccccc1.CCC(=O)N1C(=O)O[C@@H](c2ccccc2)[C@H]1C.COCC(=O)N1C(=O)OCC1Cc1ccccc1.COCC(=O)N1C(=O)OC[C@H]1C(C)C.

What is the InChIKey of 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?

The InChIKey is FZPNYUGBQFWMNM-GQNDSSFUSA-N. The full InChI is InChI=1S/C13H15NO4.C13H15NO3.C12H13NO3.C11H19NO3.C9H15NO4.C9H15NO3/c1-17-9-12(15)14-11(8-18-13(14)16)7-10-5-3-2-4-6-10;1-3-11(15)14-9(2)12(17-13(14)16)10-7-5-4-6-8-10;1-2-11(14)13-10(8-16-12(13)15)9-6-4-3-5-7-9;1-6-8(13)12-9(7(2)3)11(4,5)15-10(12)14;1-6(2)7-4-14-9(12)10(7)8(11)5-13-3;1-4-8(11)10-7(6(2)3)5-13-9(10)12/h2-6,11H,7-9H2,1H3;4-9,12H,3H2,1-2H3;3-7,10H,2,8H2,1H3;7,9H,6H2,1-5H3;6-7H,4-5H2,1-3H3;6-7H,4-5H2,1-3H3/t;9-,12-;;;7-;/m.1..0./s1.

What are the key properties of 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one?

4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 1301.49 g/mol, XLogP of 10.06, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4R)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4R,5S)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 158189854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).