3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C28H28N2O5 — CID 43039542

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 43039542) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
• PubChem CID: 43039542
• Molecular Formula: C28H28N2O5
• Molecular Weight: 472.54 g/mol
• Exact Mass: 472.20
• IUPAC Name: 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
• SMILES: COc1cc(CNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc(OC)c1OC
• InChI: InChI=1S/C28H28N2O5/c1-32-22-16-19(17-23(33-2)28(22)34-3)18-29-24(31)14-15-25-30-26(20-10-6-4-7-11-20)27(35-25)21-12-8-5-9-13-21/h4-13,16-17H,14-15,18H2,1-3H3,(H,29,31)
• InChIKey: JIJHGRORRVGPGW-UHFFFAOYSA-N
• XLogP: 5.28
• 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	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?

The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 43039542) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?

The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc(OC)c1OC.

What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?

The InChIKey is JIJHGRORRVGPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-32-22-16-19(17-23(33-2)28(22)34-3)18-29-24(31)14-15-25-30-26(20-10-6-4-7-11-20)27(35-25)21-12-8-5-9-13-21/h4-13,16-17H,14-15,18H2,1-3H3,(H,29,31).

What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 472.54 g/mol, XLogP of 5.28, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 43039542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).