1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea

C23H23N5O4 — CID 170560018

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea (PubChem CID 170560018) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea
• PubChem CID: 170560018
• Molecular Formula: C23H23N5O4
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.18
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea
• SMILES: COc1ccn2c(C(=O)c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cnc2c1
• InChI: InChI=1S/C23H23N5O4/c1-23(2,3)18-12-19(27-32-18)26-22(30)25-15-7-5-14(6-8-15)21(29)17-13-24-20-11-16(31-4)9-10-28(17)20/h5-13H,1-4H3,(H2,25,26,27,30)
• InChIKey: PXYKERZCWDCIFH-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 110.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea (CID 170560018) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea is COc1ccn2c(C(=O)c3ccc(NC(=O)Nc4cc(C(C)(C)C)on4)cc3)cnc2c1.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea?

The InChIKey is PXYKERZCWDCIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-23(2,3)18-12-19(27-32-18)26-22(30)25-15-7-5-14(6-8-15)21(29)17-13-24-20-11-16(31-4)9-10-28(17)20/h5-13H,1-4H3,(H2,25,26,27,30).

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea has a molecular weight of 433.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[4-(7-methoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]urea is sourced from PubChem (CID 170560018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).