N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide

C28H28N2O5 — CID 100504037

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (PubChem CID 100504037) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
• PubChem CID: 100504037
• Molecular Formula: C28H28N2O5
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.20
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide
• SMILES: CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1
• InChI: InChI=1S/C28H28N2O5/c1-4-34-21-12-10-20(11-13-21)26-18-30-28(35-26)23-8-6-5-7-22(23)27(31)29-16-15-19-9-14-24(32-2)25(17-19)33-3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,31)
• InChIKey: WCIRTAFSGDCUBO-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 82.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.54
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide (CID 100504037) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCCc3ccc(OC)c(OC)c3)o2)cc1.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?

The InChIKey is WCIRTAFSGDCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-4-34-21-12-10-20(11-13-21)26-18-30-28(35-26)23-8-6-5-7-22(23)27(31)29-16-15-19-9-14-24(32-2)25(17-19)33-3/h5-14,17-18H,4,15-16H2,1-3H3,(H,29,31).

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 5.40, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 100504037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).