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

C69H96N6O23 — CID 162201192

IUPAC4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(C)(C)C1C(C)C.COCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.COCC(=O)N1C(=O)OCC1Cc1ccccc1.COCC(=O)N1C(=O)OC[C@@H]1C(C)C.COCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.COCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/2C13H15NO4.C12H13NO4.C11H19NO4.C11H19NO3.C9H15NO4/c1-9-12(10-6-4-3-5-7-10)18-13(16)14(9)11(15)8-17-2;1-17-9-12(15)14-11(8-18-13(14)16)7-10-5-3-2-4-6-10;1-16-8-11(14)13-10(7-17-12(13)15)9-5-3-2-4-6-9;1-7(2)9-11(3,4)16-10(14)12(9)8(13)6-15-5;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/h3-7,9,12H,8H2,1-2H3;2-6,11H,7-9H2,1H3;2-6,10H,7-8H2,1H3;7,9H,6H2,1-5H3;7,9H,6H2,1-5H3;6-7H,4-5H2,1-3H3/t9-,12-;;10-;9-;;7-/m0.10.1/s1
InChIKeyZRPJGBBSRXZKPR-OSDORGQTSA-N
MW1377.55 g/mol
LogP8.55
Rot. Bonds18

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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 162201192) has the molecular formula C69H96N6O23 and a molecular weight of 1377.55 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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID162201192
Molecular FormulaC69H96N6O23
Molecular Weight1377.55 g/mol
Exact Mass1376.65
IUPAC Name4-benzyl-3-(2-methoxyacetyl)-1,3-oxazolidin-2-one;5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCCC(=O)N1C(=O)OC(C)(C)C1C(C)C.COCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.COCC(=O)N1C(=O)OCC1Cc1ccccc1.COCC(=O)N1C(=O)OC[C@@H]1C(C)C.COCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.COCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/2C13H15NO4.C12H13NO4.C11H19NO4.C11H19NO3.C9H15NO4/c1-9-12(10-6-4-3-5-7-10)18-13(16)14(9)11(15)8-17-2;1-17-9-12(15)14-11(8-18-13(14)16)7-10-5-3-2-4-6-10;1-16-8-11(14)13-10(7-17-12(13)15)9-5-3-2-4-6-9;1-7(2)9-11(3,4)16-10(14)12(9)8(13)6-15-5;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/h3-7,9,12H,8H2,1-2H3;2-6,11H,7-9H2,1H3;2-6,10H,7-8H2,1H3;7,9H,6H2,1-5H3;7,9H,6H2,1-5H3;6-7H,4-5H2,1-3H3/t9-,12-;;10-;9-;;7-/m0.10.1/s1
InChIKeyZRPJGBBSRXZKPR-OSDORGQTSA-N
XLogP8.55
TPSA325.81 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.55
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

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

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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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one (CID 162201192) 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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is CCC(=O)N1C(=O)OC(C)(C)C1C(C)C.COCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.COCC(=O)N1C(=O)OCC1Cc1ccccc1.COCC(=O)N1C(=O)OC[C@@H]1C(C)C.COCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.COCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C.
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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is ZRPJGBBSRXZKPR-OSDORGQTSA-N. The full InChI is InChI=1S/2C13H15NO4.C12H13NO4.C11H19NO4.C11H19NO3.C9H15NO4/c1-9-12(10-6-4-3-5-7-10)18-13(16)14(9)11(15)8-17-2;1-17-9-12(15)14-11(8-18-13(14)16)7-10-5-3-2-4-6-10;1-16-8-11(14)13-10(7-17-12(13)15)9-5-3-2-4-6-9;1-7(2)9-11(3,4)16-10(14)12(9)8(13)6-15-5;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/h3-7,9,12H,8H2,1-2H3;2-6,11H,7-9H2,1H3;2-6,10H,7-8H2,1H3;7,9H,6H2,1-5H3;7,9H,6H2,1-5H3;6-7H,4-5H2,1-3H3/t9-,12-;;10-;9-;;7-/m0.10.1/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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 1377.55 g/mol, XLogP of 8.55, 18 rotatable bonds, 0 hydrogen bond donors, and 23 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;(4S)-3-(2-methoxyacetyl)-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-3-(2-methoxyacetyl)-4-methyl-5-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-phenyl-1,3-oxazolidin-2-one;(4S)-3-(2-methoxyacetyl)-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 162201192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).