2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide

C78H78N6O13S2 — CID 163529973

About 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide

2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide (PubChem CID 163529973) has the molecular formula C78H78N6O13S2 and a molecular weight of 1371.64 g/mol. Its IUPAC name is 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
• PubChem CID: 163529973
• Molecular Formula: C78H78N6O13S2
• Molecular Weight: 1371.64 g/mol
• Exact Mass: 1370.51
• IUPAC Name: 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide
• SMILES: COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cncs3)c3cc(C)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cocn3)c3cc(C)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3nccs3)c3cc(C)ccc32)cc(OC)c1O
• InChI: InChI=1S/C26H26N2O5.2C26H26N2O4S/c1-15-5-6-19-20(8-17-9-23(31-3)26(30)24(10-17)32-4)16(2)21(22(19)7-15)11-25(29)27-12-18-13-33-14-28-18;1-15-5-6-19-20(8-17-9-23(31-3)26(30)24(10-17)32-4)16(2)21(22(19)7-15)11-25(29)28-13-18-12-27-14-33-18;1-15-5-6-18-19(10-17-11-22(31-3)26(30)23(12-17)32-4)16(2)20(21(18)9-15)13-24(29)28-14-25-27-7-8-33-25/h5-10,13-14,30H,11-12H2,1-4H3,(H,27,29);5-10,12,14,30H,11,13H2,1-4H3,(H,28,29);5-12,30H,13-14H2,1-4H3,(H,28,29)/b2*20-8-;19-10-
• InChIKey: DSCRLECIVBORKH-ZKLXNBJQSA-N
• XLogP: 15.16
• TPSA: 255.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1371.64
LogP ≤ 5	15.16
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?

The IUPAC name of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide (CID 163529973) is 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide.

What is the SMILES notation for 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?

The canonical SMILES for 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide is COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cncs3)c3cc(C)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3cocn3)c3cc(C)ccc32)cc(OC)c1O.COc1cc(/C=C2/C(C)=C(CC(=O)NCc3nccs3)c3cc(C)ccc32)cc(OC)c1O.

What is the InChIKey of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?

The InChIKey is DSCRLECIVBORKH-ZKLXNBJQSA-N. The full InChI is InChI=1S/C26H26N2O5.2C26H26N2O4S/c1-15-5-6-19-20(8-17-9-23(31-3)26(30)24(10-17)32-4)16(2)21(22(19)7-15)11-25(29)27-12-18-13-33-14-28-18;1-15-5-6-19-20(8-17-9-23(31-3)26(30)24(10-17)32-4)16(2)21(22(19)7-15)11-25(29)28-13-18-12-27-14-33-18;1-15-5-6-18-19(10-17-11-22(31-3)26(30)23(12-17)32-4)16(2)20(21(18)9-15)13-24(29)28-14-25-27-7-8-33-25/h5-10,13-14,30H,11-12H2,1-4H3,(H,27,29);5-10,12,14,30H,11,13H2,1-4H3,(H,28,29);5-12,30H,13-14H2,1-4H3,(H,28,29)/b2*20-8-;19-10-.

What are the key properties of 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide?

2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide has a molecular weight of 1371.64 g/mol, XLogP of 15.16, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-oxazol-4-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-2-ylmethyl)acetamide;2-[(3Z)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2,6-dimethylinden-1-yl]-N-(1,3-thiazol-5-ylmethyl)acetamide is sourced from PubChem (CID 163529973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).