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

C79H100N6O18 — CID 159558390

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

(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 159558390) has the molecular formula C79H100N6O18 and a molecular weight of 1421.69 g/mol. Its IUPAC name is (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
• PubChem CID: 159558390
• Molecular Formula: C79H100N6O18
• Molecular Weight: 1421.69 g/mol
• Exact Mass: 1420.71
• IUPAC Name: (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one
• SMILES: CC(C)[C@H]1COC(=O)N1C(=O)CCc1ccccc1.CCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.CCC(=O)N1C(=O)OC[C@@H]1C(C)C.CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.CCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C.O=C(CCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1
• InChI: InChI=1S/C19H19NO3.C15H19NO3.C13H15NO3.C12H13NO3.C11H19NO3.C9H15NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16;1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12;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;1-4-8(11)10-7(6(2)3)5-13-9(10)12/h1-10,17H,11-14H2;3-7,11,13H,8-10H2,1-2H3;4-9,12H,3H2,1-2H3;3-7,10H,2,8H2,1H3;7,9H,6H2,1-5H3;6-7H,4-5H2,1-3H3/t17-;13-;9-,12-;10-;9-;7-/m010101/s1
• InChIKey: MGHCHPLGAKQCQF-GREFEBFVSA-N
• XLogP: 14.03
• TPSA: 279.66 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1421.69
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 159558390) is (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)CCc1ccccc1.CCC(=O)N1C(=O)OC(C)(C)[C@@H]1C(C)C.CCC(=O)N1C(=O)OC[C@@H]1C(C)C.CCC(=O)N1C(=O)OC[C@@H]1c1ccccc1.CCC(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C.O=C(CCc1ccccc1)N1C(=O)OC[C@@H]1Cc1ccccc1.

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

The InChIKey is MGHCHPLGAKQCQF-GREFEBFVSA-N. The full InChI is InChI=1S/C19H19NO3.C15H19NO3.C13H15NO3.C12H13NO3.C11H19NO3.C9H15NO3/c21-18(12-11-15-7-3-1-4-8-15)20-17(14-23-19(20)22)13-16-9-5-2-6-10-16;1-11(2)13-10-19-15(18)16(13)14(17)9-8-12-6-4-3-5-7-12;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;1-4-8(11)10-7(6(2)3)5-13-9(10)12/h1-10,17H,11-14H2;3-7,11,13H,8-10H2,1-2H3;4-9,12H,3H2,1-2H3;3-7,10H,2,8H2,1H3;7,9H,6H2,1-5H3;6-7H,4-5H2,1-3H3/t17-;13-;9-,12-;10-;9-;7-/m010101/s1.

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

(4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 1421.69 g/mol, XLogP of 14.03, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-benzyl-3-(3-phenylpropanoyl)-1,3-oxazolidin-2-one;(4S)-5,5-dimethyl-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one;(4S,5R)-4-methyl-5-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-4-phenyl-3-propanoyl-1,3-oxazolidin-2-one;(4S)-3-(3-phenylpropanoyl)-4-propan-2-yl-1,3-oxazolidin-2-one;(4S)-3-propanoyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 159558390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).