1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea

C20H19ClN6O2 — CID 130424606

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea (PubChem CID 130424606) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea
• PubChem CID: 130424606
• Molecular Formula: C20H19ClN6O2
• Molecular Weight: 410.87 g/mol
• Exact Mass: 410.13
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc4cc(Cl)cnc43)cc2)no1
• InChI: InChI=1S/C20H19ClN6O2/c1-20(2,3)16-9-17(26-29-16)25-19(28)24-13-4-6-14(7-5-13)27-11-23-15-8-12(21)10-22-18(15)27/h4-11H,1-3H3,(H2,24,25,26,28)
• InChIKey: CEOBERMKJGVJAR-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.87
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea (CID 130424606) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc4cc(Cl)cnc43)cc2)no1.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea?

The InChIKey is CEOBERMKJGVJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-20(2,3)16-9-17(26-29-16)25-19(28)24-13-4-6-14(7-5-13)27-11-23-15-8-12(21)10-22-18(15)27/h4-11H,1-3H3,(H2,24,25,26,28).

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea has a molecular weight of 410.87 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(6-chloroimidazo[4,5-b]pyridin-3-yl)phenyl]urea is sourced from PubChem (CID 130424606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).