4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole

C24H24ClN3O3 — CID 10939052

IUPAC4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole
SMILESCCc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1
InChIInChI=1S/C24H24ClN3O3/c1-3-22-26-14-15-28(22)24-27-23(17-10-12-18(25)13-11-17)21(31-24)9-6-16-30-20-8-5-4-7-19(20)29-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3
InChIKeyFUCTVFQDAGCAHD-UHFFFAOYSA-N
MW437.93 g/mol
LogP5.76
Rot. Bonds9

About 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole

4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole (PubChem CID 10939052) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole
PubChem CID10939052
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole
SMILESCCc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1
InChIInChI=1S/C24H24ClN3O3/c1-3-22-26-14-15-28(22)24-27-23(17-10-12-18(25)13-11-17)21(31-24)9-6-16-30-20-8-5-4-7-19(20)29-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3
InChIKeyFUCTVFQDAGCAHD-UHFFFAOYSA-N
XLogP5.76
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.93
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole (CID 10939052) is 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole is CCc1nccn1-c1nc(-c2ccc(Cl)cc2)c(CCCOc2ccccc2OC)o1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole?
The InChIKey is FUCTVFQDAGCAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-3-22-26-14-15-28(22)24-27-23(17-10-12-18(25)13-11-17)21(31-24)9-6-16-30-20-8-5-4-7-19(20)29-2/h4-5,7-8,10-15H,3,6,9,16H2,1-2H3.
What are the key properties of 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole?
4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole has a molecular weight of 437.93 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-ethylimidazol-1-yl)-5-[3-(2-methoxyphenoxy)propyl]-1,3-oxazole is sourced from PubChem (CID 10939052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).