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

C29H19N3O4 — CID 3968758

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

N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide (PubChem CID 3968758) has the molecular formula C29H19N3O4 and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide.

Molecular Properties

• Compound Name: N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
• PubChem CID: 3968758
• Molecular Formula: C29H19N3O4
• Molecular Weight: 473.49 g/mol
• Exact Mass: 473.14
• IUPAC Name: N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide
• SMILES: Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cccc1-c1nc2ncccc2o1
• InChI: InChI=1S/C29H19N3O4/c1-17-21(28-32-26-25(35-28)10-5-15-30-26)7-4-8-23(17)31-27(33)19-13-11-18(12-14-19)22-16-20-6-2-3-9-24(20)36-29(22)34/h2-16H,1H3,(H,31,33)
• InChIKey: VEUUZZMLMOWOFT-UHFFFAOYSA-N
• XLogP: 6.22
• TPSA: 98.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.49
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide (CID 3968758) is N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide.

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

The canonical SMILES for N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide is Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cccc1-c1nc2ncccc2o1.

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

The InChIKey is VEUUZZMLMOWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N3O4/c1-17-21(28-32-26-25(35-28)10-5-15-30-26)7-4-8-23(17)31-27(33)19-13-11-18(12-14-19)22-16-20-6-2-3-9-24(20)36-29(22)34/h2-16H,1H3,(H,31,33).

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

N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide has a molecular weight of 473.49 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-methyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 3968758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).