5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C59H54N6O11S2 — CID 159428766

About 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 159428766) has the molecular formula C59H54N6O11S2 and a molecular weight of 1087.25 g/mol. Its IUPAC name is 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 159428766
• Molecular Formula: C59H54N6O11S2
• Molecular Weight: 1087.25 g/mol
• Exact Mass: 1086.33
• IUPAC Name: 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: Cc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1cccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)n1.Cc1oc(-c2ccccc2)nc1Cc1cc2cc(CC3OC(=O)NC3=O)ccc2o1
• InChI: InChI=1S/C23H18N2O5.2C18H18N2O3S/c1-13-18(24-22(28-13)15-5-3-2-4-6-15)12-17-11-16-9-14(7-8-19(16)29-17)10-20-21(26)25-23(27)30-20;1-12-2-5-14(19-11-12)8-9-23-15-6-3-13(4-7-15)10-16-17(21)20-18(22)24-16;1-12-3-2-4-14(19-12)9-10-23-15-7-5-13(6-8-15)11-16-17(21)20-18(22)24-16/h2-9,11,20H,10,12H2,1H3,(H,25,26,27);2-7,11,16H,8-10H2,1H3,(H,20,21,22);2-8,16H,9-11H2,1H3,(H,20,21,22)
• InChIKey: LQSDVERWICNJEX-UHFFFAOYSA-N
• XLogP: 9.98
• TPSA: 231.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.25
LogP ≤ 5	9.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The IUPAC name of 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 159428766) is 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

What is the SMILES notation for 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The canonical SMILES for 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1cccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)n1.Cc1oc(-c2ccccc2)nc1Cc1cc2cc(CC3OC(=O)NC3=O)ccc2o1.

What is the InChIKey of 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

The InChIKey is LQSDVERWICNJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5.2C18H18N2O3S/c1-13-18(24-22(28-13)15-5-3-2-4-6-15)12-17-11-16-9-14(7-8-19(16)29-17)10-20-21(26)25-23(27)30-20;1-12-2-5-14(19-11-12)8-9-23-15-6-3-13(4-7-15)10-16-17(21)20-18(22)24-16;1-12-3-2-4-14(19-12)9-10-23-15-7-5-13(6-8-15)11-16-17(21)20-18(22)24-16/h2-9,11,20H,10,12H2,1H3,(H,25,26,27);2-7,11,16H,8-10H2,1H3,(H,20,21,22);2-8,16H,9-11H2,1H3,(H,20,21,22).

What are the key properties of 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?

5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 1087.25 g/mol, XLogP of 9.98, 17 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(6-methyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159428766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).