ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate

C25H24ClN3O5 — CID 18174694

About ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate

ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate (PubChem CID 18174694) has the molecular formula C25H24ClN3O5 and a molecular weight of 481.94 g/mol. Its IUPAC name is ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
• PubChem CID: 18174694
• Molecular Formula: C25H24ClN3O5
• Molecular Weight: 481.94 g/mol
• Exact Mass: 481.14
• IUPAC Name: ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate
• SMILES: CCOC(=O)c1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1
• InChI: InChI=1S/C25H24ClN3O5/c1-3-32-24(30)23-27-14-15-29(23)25-28-22(17-10-12-18(26)13-11-17)21(34-25)9-6-16-33-20-8-5-4-7-19(20)31-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3
• InChIKey: QFXYAZCPSAFKSM-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 88.61 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.94
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?

The IUPAC name of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate (CID 18174694) is ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate.

What is the SMILES notation for ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?

The canonical SMILES for ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate is CCOC(=O)c1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1.

What is the InChIKey of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?

The InChIKey is QFXYAZCPSAFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O5/c1-3-32-24(30)23-27-14-15-29(23)25-28-22(17-10-12-18(26)13-11-17)21(34-25)9-6-16-33-20-8-5-4-7-19(20)31-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3.

What are the key properties of ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate?

ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate has a molecular weight of 481.94 g/mol, XLogP of 5.38, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazol-2-yl]imidazole-2-carboxylate is sourced from PubChem (CID 18174694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).