5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C65H56N6O10S3 — CID 159240160

About 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 159240160) has the molecular formula C65H56N6O10S3 and a molecular weight of 1177.40 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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• PubChem CID: 159240160
• Molecular Formula: C65H56N6O10S3
• Molecular Weight: 1177.40 g/mol
• Exact Mass: 1176.32
• IUPAC Name: 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
• SMILES: CC(C)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1oc(-c2ccccc2)nc1Cc1cc2cc(CC3SC(=O)NC3=O)ccc2o1.O=C1NC(=O)C(Cc2ccc3oc(Cc4ccc5ccccc5c4)nc3c2)S1
• InChI: InChI=1S/C23H18N2O4S.C22H16N2O3S.C20H22N2O3S/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;25-21-19(28-22(26)24-21)11-14-6-8-18-17(10-14)23-20(27-18)12-13-5-7-15-3-1-2-4-16(15)9-13;1-13(2)15-5-6-16(21-12-15)9-10-25-17-7-3-14(4-8-17)11-18-19(23)22-20(24)26-18/h2-9,11,20H,10,12H2,1H3,(H,25,26,27);1-10,19H,11-12H2,(H,24,25,26);3-8,12-13,18H,9-11H2,1-2H3,(H,22,23,24)
• InChIKey: KTZGKPMBAVAFOE-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 225.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1177.40
LogP ≤ 5	13.07
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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 159240160) is 5-[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CC(C)c1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.Cc1oc(-c2ccccc2)nc1Cc1cc2cc(CC3SC(=O)NC3=O)ccc2o1.O=C1NC(=O)C(Cc2ccc3oc(Cc4ccc5ccccc5c4)nc3c2)S1.

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

The InChIKey is KTZGKPMBAVAFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4S.C22H16N2O3S.C20H22N2O3S/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;25-21-19(28-22(26)24-21)11-14-6-8-18-17(10-14)23-20(27-18)12-13-5-7-15-3-1-2-4-16(15)9-13;1-13(2)15-5-6-16(21-12-15)9-10-25-17-7-3-14(4-8-17)11-18-19(23)22-20(24)26-18/h2-9,11,20H,10,12H2,1H3,(H,25,26,27);1-10,19H,11-12H2,(H,24,25,26);3-8,12-13,18H,9-11H2,1-2H3,(H,22,23,24).

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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 1177.40 g/mol, XLogP of 13.07, 16 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-thiazolidine-2,4-dione;5-[[2-(naphthalen-2-ylmethyl)-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;5-[[4-[2-(5-propan-2-yl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159240160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).