(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)

C₈₀H₇₆N₄O₁₆ — CID 139182419

About (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)

(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) (PubChem CID 139182419) has the molecular formula C₈₀H₇₆N₄O₁₆ and a molecular weight of 1349.50 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone).

Molecular Properties

• Compound Name: (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)
• PubChem CID: 139182419
• Molecular Formula: C₈₀H₇₆N₄O₁₆
• Molecular Weight: 1349.50 g/mol
• Exact Mass: 1348.53
• IUPAC Name: (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)
• SMILES: CCOc1ccc(C(=O)c2nc(-c3ccc(OCC)cc3)co2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1
• InChI: InChI=1S/4C20H19NO4/c1-3-23-16-9-5-14(6-10-16)18-13-25-20(21-18)19(22)15-7-11-17(12-8-15)24-4-2;3*1-3-23-16-9-5-14(6-10-16)18-13-21-20(25-18)19(22)15-7-11-17(12-8-15)24-4-2/h4*5-13H,3-4H2,1-2H3
• InChIKey: RQJVUAWDADZWPE-UHFFFAOYSA-N
• XLogP: 17.48
• TPSA: 246.24 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 28
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1349.50
LogP ≤ 5	17.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?

The IUPAC name of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) (CID 139182419) is (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone).

What is the SMILES notation for (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?

The canonical SMILES for (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) is CCOc1ccc(C(=O)c2nc(-c3ccc(OCC)cc3)co2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.CCOc1ccc(C(=O)c2ncc(-c3ccc(OCC)cc3)o2)cc1.

What is the InChIKey of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?

The InChIKey is RQJVUAWDADZWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C20H19NO4/c1-3-23-16-9-5-14(6-10-16)18-13-25-20(21-18)19(22)15-7-11-17(12-8-15)24-4-2;3*1-3-23-16-9-5-14(6-10-16)18-13-21-20(25-18)19(22)15-7-11-17(12-8-15)24-4-2/h4*5-13H,3-4H2,1-2H3.

What are the key properties of (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone)?

(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) has a molecular weight of 1349.50 g/mol, XLogP of 17.48, 28 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (4-ethoxyphenyl)-[4-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone;tris((4-ethoxyphenyl)-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanone) is sourced from PubChem (CID 139182419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139182419 — identifiers, structure, computed properties (public domain)

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