(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate

C26H24N2O6S — CID 55504264

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate (PubChem CID 55504264) has the molecular formula C26H24N2O6S and a molecular weight of 492.55 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate.

Molecular Properties

• Compound Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
• PubChem CID: 55504264
• Molecular Formula: C26H24N2O6S
• Molecular Weight: 492.55 g/mol
• Exact Mass: 492.14
• IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate
• SMILES: COc1cc(NC(=O)Cc2cccs2)c(C(=O)OCc2nc(-c3ccccc3)oc2C)cc1OC
• InChI: InChI=1S/C26H24N2O6S/c1-16-21(28-25(34-16)17-8-5-4-6-9-17)15-33-26(30)19-13-22(31-2)23(32-3)14-20(19)27-24(29)12-18-10-7-11-35-18/h4-11,13-14H,12,15H2,1-3H3,(H,27,29)
• InChIKey: UVEOMIHEPWFBNM-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 99.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.55
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?

The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate (CID 55504264) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate.

What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?

The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate is COc1cc(NC(=O)Cc2cccs2)c(C(=O)OCc2nc(-c3ccccc3)oc2C)cc1OC.

What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?

The InChIKey is UVEOMIHEPWFBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6S/c1-16-21(28-25(34-16)17-8-5-4-6-9-17)15-33-26(30)19-13-22(31-2)23(32-3)14-20(19)27-24(29)12-18-10-7-11-35-18/h4-11,13-14H,12,15H2,1-3H3,(H,27,29).

What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate?

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate has a molecular weight of 492.55 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate is sourced from PubChem (CID 55504264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).