5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole

C21H24IN3O3 — CID 166757555

About 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole

5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole (PubChem CID 166757555) has the molecular formula C21H24IN3O3 and a molecular weight of 493.35 g/mol. Its IUPAC name is 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole.

Molecular Properties

• Compound Name: 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
• PubChem CID: 166757555
• Molecular Formula: C21H24IN3O3
• Molecular Weight: 493.35 g/mol
• Exact Mass: 493.09
• IUPAC Name: 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole
• SMILES: Cc1cn(Cc2cc(-c3ccc(I)cc3)on2)c(C(C)OC2CCCCO2)n1
• InChI: InChI=1S/C21H24IN3O3/c1-14-12-25(21(23-14)15(2)27-20-5-3-4-10-26-20)13-18-11-19(28-24-18)16-6-8-17(22)9-7-16/h6-9,11-12,15,20H,3-5,10,13H2,1-2H3
• InChIKey: OVDGMOXWHJAIAP-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 62.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.35
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?

The IUPAC name of 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole (CID 166757555) is 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole.

What is the SMILES notation for 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?

The canonical SMILES for 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole is Cc1cn(Cc2cc(-c3ccc(I)cc3)on2)c(C(C)OC2CCCCO2)n1.

What is the InChIKey of 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?

The InChIKey is OVDGMOXWHJAIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24IN3O3/c1-14-12-25(21(23-14)15(2)27-20-5-3-4-10-26-20)13-18-11-19(28-24-18)16-6-8-17(22)9-7-16/h6-9,11-12,15,20H,3-5,10,13H2,1-2H3.

What are the key properties of 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole?

5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole has a molecular weight of 493.35 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-iodophenyl)-3-[[4-methyl-2-[1-(oxan-2-yloxy)ethyl]imidazol-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 166757555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).