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

C25H26ClN3O3 — CID 70113738

IUPAC4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole
SMILESCCCc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3ccccc3OC)o2)[nH]1
InChIInChI=1S/C25H26ClN3O3/c1-3-7-23-27-16-19(28-23)25-29-24(17-11-13-18(26)14-12-17)22(32-25)10-6-15-31-21-9-5-4-8-20(21)30-2/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,27,28)
InChIKeyJJUZZBBSTCMVPO-UHFFFAOYSA-N
MW451.95 g/mol
LogP6.36
Rot. Bonds10

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

4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole (PubChem CID 70113738) has the molecular formula C25H26ClN3O3 and a molecular weight of 451.95 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole
PubChem CID70113738
Molecular FormulaC25H26ClN3O3
Molecular Weight451.95 g/mol
Exact Mass451.17
IUPAC Name4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole
SMILESCCCc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3ccccc3OC)o2)[nH]1
InChIInChI=1S/C25H26ClN3O3/c1-3-7-23-27-16-19(28-23)25-29-24(17-11-13-18(26)14-12-17)22(32-25)10-6-15-31-21-9-5-4-8-20(21)30-2/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,27,28)
InChIKeyJJUZZBBSTCMVPO-UHFFFAOYSA-N
XLogP6.36
TPSA73.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.95
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-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)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole (CID 70113738) is 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole is CCCc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3ccccc3OC)o2)[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole?
The InChIKey is JJUZZBBSTCMVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O3/c1-3-7-23-27-16-19(28-23)25-29-24(17-11-13-18(26)14-12-17)22(32-25)10-6-15-31-21-9-5-4-8-20(21)30-2/h4-5,8-9,11-14,16H,3,6-7,10,15H2,1-2H3,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole?
4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole has a molecular weight of 451.95 g/mol, XLogP of 6.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole is sourced from PubChem (CID 70113738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).