5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid

C138H174N6O28S8 — CID 162033713

About 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid

5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid (PubChem CID 162033713) has the molecular formula C138H174N6O28S8 and a molecular weight of 2621.46 g/mol. Its IUPAC name is 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid
• PubChem CID: 162033713
• Molecular Formula: C138H174N6O28S8
• Molecular Weight: 2621.46 g/mol
• Exact Mass: 2619.01
• IUPAC Name: 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid
• SMILES: CCCCC[C@@H](O)c1ccc(N2C(=O)CO[C@@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@@H](O)c1ccc(N2C(=O)CO[C@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@@H](O)c1ccc(N2C(=O)CS[C@@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@H](O)c1ccc(N2C(=O)CO[C@@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@H](O)c1ccc(N2C(=O)CO[C@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@H](O)c1ccc(N2C(=O)CS[C@@H]2CCCc2ccc(C(=O)O)s2)cc1
• InChI: InChI=1S/4C23H29NO5S.2C23H29NO4S2/c6*1-2-3-4-7-19(25)16-9-11-17(12-10-16)24-21(26)15-29-22(24)8-5-6-18-13-14-20(30-18)23(27)28/h6*9-14,19,22,25H,2-8,15H2,1H3,(H,27,28)/t2*19-,22+;2*19-,22-;19-,22+;19-,22-/m101001/s1
• InChIKey: YWJGBUNGRRPXBI-QKRNOFOPSA-N
• XLogP: 30.07
• TPSA: 503.96 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 66
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2621.46
LogP ≤ 5	30.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid?

The IUPAC name of 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid (CID 162033713) is 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid.

What is the SMILES notation for 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid?

The canonical SMILES for 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid is CCCCC[C@@H](O)c1ccc(N2C(=O)CO[C@@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@@H](O)c1ccc(N2C(=O)CO[C@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@@H](O)c1ccc(N2C(=O)CS[C@@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@H](O)c1ccc(N2C(=O)CO[C@@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@H](O)c1ccc(N2C(=O)CO[C@H]2CCCc2ccc(C(=O)O)s2)cc1.CCCCC[C@H](O)c1ccc(N2C(=O)CS[C@@H]2CCCc2ccc(C(=O)O)s2)cc1.

What is the InChIKey of 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid?

The InChIKey is YWJGBUNGRRPXBI-QKRNOFOPSA-N. The full InChI is InChI=1S/4C23H29NO5S.2C23H29NO4S2/c6*1-2-3-4-7-19(25)16-9-11-17(12-10-16)24-21(26)15-29-22(24)8-5-6-18-13-14-20(30-18)23(27)28/h6*9-14,19,22,25H,2-8,15H2,1H3,(H,27,28)/t2*19-,22+;2*19-,22-;19-,22+;19-,22-/m101001/s1.

What are the key properties of 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid?

5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid has a molecular weight of 2621.46 g/mol, XLogP of 30.07, 66 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2S)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-oxazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1S)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid;5-[3-[(2R)-3-[4-[(1R)-1-hydroxyhexyl]phenyl]-4-oxo-1,3-thiazolidin-2-yl]propyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 162033713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).