3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide

C25H20N4O4 — CID 97446288

About 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide

3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446288) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
• PubChem CID: 97446288
• Molecular Formula: C25H20N4O4
• Molecular Weight: 440.46 g/mol
• Exact Mass: 440.15
• IUPAC Name: 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide
• SMILES: COc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)Cc5ccccn5)cc34)co2)cc1
• InChI: InChI=1S/C25H20N4O4/c1-29(14-18-5-3-4-12-26-18)25(30)17-8-11-22-20(13-17)23(28-33-22)21-15-32-24(27-21)16-6-9-19(31-2)10-7-16/h3-13,15H,14H2,1-2H3
• InChIKey: UBNPHMZTWVVBIA-UHFFFAOYSA-N
• XLogP: 4.83
• TPSA: 94.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.46
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?

The IUPAC name of 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide (CID 97446288) is 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide.

What is the SMILES notation for 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?

The canonical SMILES for 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide is COc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)Cc5ccccn5)cc34)co2)cc1.

What is the InChIKey of 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?

The InChIKey is UBNPHMZTWVVBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-29(14-18-5-3-4-12-26-18)25(30)17-8-11-22-20(13-17)23(28-33-22)21-15-32-24(27-21)16-6-9-19(31-2)10-7-16/h3-13,15H,14H2,1-2H3.

What are the key properties of 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide?

3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-methyl-N-(pyridin-2-ylmethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).