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

C23H20ClN3O3 — CID 2292092

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

3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (PubChem CID 2292092) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is 3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

• Compound Name: 3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
• PubChem CID: 2292092
• Molecular Formula: C23H20ClN3O3
• Molecular Weight: 421.88 g/mol
• Exact Mass: 421.12
• IUPAC Name: 3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide
• SMILES: CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1
• InChI: InChI=1S/C23H20ClN3O3/c1-2-3-12-29-17-7-4-6-15(13-17)22(28)26-19-14-16(9-10-18(19)24)23-27-21-20(30-23)8-5-11-25-21/h4-11,13-14H,2-3,12H2,1H3,(H,26,28)
• InChIKey: RGRFIEVMKFNFCM-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.88
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide (CID 2292092) is 3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide.

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

The canonical SMILES for 3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1.

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

The InChIKey is RGRFIEVMKFNFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-2-3-12-29-17-7-4-6-15(13-17)22(28)26-19-14-16(9-10-18(19)24)23-27-21-20(30-23)8-5-11-25-21/h4-11,13-14H,2-3,12H2,1H3,(H,26,28).

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

3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide has a molecular weight of 421.88 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butoxy-N-[2-chloro-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 2292092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).