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

C22H18ClN3O3 — CID 1364042

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

3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 1364042) has the molecular formula C22H18ClN3O3 and a molecular weight of 407.86 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
• PubChem CID: 1364042
• Molecular Formula: C22H18ClN3O3
• Molecular Weight: 407.86 g/mol
• Exact Mass: 407.10
• IUPAC Name: 3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
• SMILES: CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1Cl
• InChI: InChI=1S/C22H18ClN3O3/c1-3-28-18-10-9-14(12-16(18)23)21(27)25-17-7-4-6-15(13(17)2)22-26-20-19(29-22)8-5-11-24-20/h4-12H,3H2,1-2H3,(H,25,27)
• InChIKey: OBYLLTXHELKEIN-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.86
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 1364042) is 3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

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

The canonical SMILES for 3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1Cl.

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

The InChIKey is OBYLLTXHELKEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3/c1-3-28-18-10-9-14(12-16(18)23)21(27)25-17-7-4-6-15(13(17)2)22-26-20-19(29-22)8-5-11-24-20/h4-12H,3H2,1-2H3,(H,25,27).

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

3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 407.86 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-ethoxy-N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 1364042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).