5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

C21H16BrN3O3 — CID 1333230

About 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide

5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1333230) has the molecular formula C21H16BrN3O3 and a molecular weight of 438.28 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
• PubChem CID: 1333230
• Molecular Formula: C21H16BrN3O3
• Molecular Weight: 438.28 g/mol
• Exact Mass: 437.04
• IUPAC Name: 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
• SMILES: COc1ccc(Br)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C
• InChI: InChI=1S/C21H16BrN3O3/c1-12-5-6-13(21-25-19-18(28-21)4-3-9-23-19)10-16(12)24-20(26)15-11-14(22)7-8-17(15)27-2/h3-11H,1-2H3,(H,24,26)
• InChIKey: MEQULYINJNPZOH-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.28
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?

The IUPAC name of 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1333230) is 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

What is the SMILES notation for 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?

The canonical SMILES for 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is COc1ccc(Br)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C.

What is the InChIKey of 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?

The InChIKey is MEQULYINJNPZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O3/c1-12-5-6-13(21-25-19-18(28-21)4-3-9-23-19)10-16(12)24-20(26)15-11-14(22)7-8-17(15)27-2/h3-11H,1-2H3,(H,24,26).

What are the key properties of 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide?

5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 438.28 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-methoxy-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1333230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).