1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea

C₂₁H₂₁N₅O₂ — CID 122181818

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea (PubChem CID 122181818) has the molecular formula C₂₁H₂₁N₅O₂ and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea.

Molecular Properties

• Compound Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea
• PubChem CID: 122181818
• Molecular Formula: C₂₁H₂₁N₅O₂
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.17
• IUPAC Name: 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea
• SMILES: CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)no1
• InChI: InChI=1S/C21H21N5O2/c1-21(2,3)17-12-18(25-28-17)24-20(27)22-15-9-7-14(8-10-15)16-13-26-11-5-4-6-19(26)23-16/h4-13H,1-3H3,(H2,22,24,25,27)
• InChIKey: LXUTZJRSRMFOBA-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 84.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea?

The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea (CID 122181818) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea.

What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea?

The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)no1.

What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea?

The InChIKey is LXUTZJRSRMFOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-21(2,3)17-12-18(25-28-17)24-20(27)22-15-9-7-14(8-10-15)16-13-26-11-5-4-6-19(26)23-16/h4-13H,1-3H3,(H2,22,24,25,27).

What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea?

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea has a molecular weight of 375.43 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-(4-imidazo[1,2-a]pyridin-2-ylphenyl)urea is sourced from PubChem (CID 122181818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 122181818 — identifiers, structure, computed properties (public domain)

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