2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

C20H17N3O5 — CID 110411850

About 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide

2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (PubChem CID 110411850) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
• PubChem CID: 110411850
• Molecular Formula: C20H17N3O5
• Molecular Weight: 379.37 g/mol
• Exact Mass: 379.12
• IUPAC Name: 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
• SMILES: COc1cccc(-c2nc(CC(=O)Nc3ccc4oc(=O)[nH]c4c3)c(C)o2)c1
• InChI: InChI=1S/C20H17N3O5/c1-11-15(22-19(27-11)12-4-3-5-14(8-12)26-2)10-18(24)21-13-6-7-17-16(9-13)23-20(25)28-17/h3-9H,10H2,1-2H3,(H,21,24)(H,23,25)
• InChIKey: XSWZFUZVYYTQQK-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 110.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.37
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?

The IUPAC name of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide (CID 110411850) is 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide.

What is the SMILES notation for 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?

The canonical SMILES for 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is COc1cccc(-c2nc(CC(=O)Nc3ccc4oc(=O)[nH]c4c3)c(C)o2)c1.

What is the InChIKey of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?

The InChIKey is XSWZFUZVYYTQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-11-15(22-19(27-11)12-4-3-5-14(8-12)26-2)10-18(24)21-13-6-7-17-16(9-13)23-20(25)28-17/h3-9H,10H2,1-2H3,(H,21,24)(H,23,25).

What are the key properties of 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide?

2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 379.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 110411850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).