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

C25H26ClN3O2 — CID 91583402

IUPAC4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole
SMILESCc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3cc(C)c(C)c(C)c3)o2)[nH]1
InChIInChI=1S/C25H26ClN3O2/c1-15-12-21(13-16(2)17(15)3)30-11-5-6-23-24(19-7-9-20(26)10-8-19)29-25(31-23)22-14-27-18(4)28-22/h7-10,12-14H,5-6,11H2,1-4H3,(H,27,28)
InChIKeyATJNYKDWZSGOFS-UHFFFAOYSA-N
MW435.96 g/mol
LogP6.63
Rot. Bonds7

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

4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole (PubChem CID 91583402) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole
PubChem CID91583402
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole
SMILESCc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3cc(C)c(C)c(C)c3)o2)[nH]1
InChIInChI=1S/C25H26ClN3O2/c1-15-12-21(13-16(2)17(15)3)30-11-5-6-23-24(19-7-9-20(26)10-8-19)29-25(31-23)22-14-27-18(4)28-22/h7-10,12-14H,5-6,11H2,1-4H3,(H,27,28)
InChIKeyATJNYKDWZSGOFS-UHFFFAOYSA-N
XLogP6.63
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)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

Related Compounds

5-[3-(4-chloro-2-methoxyphenoxy)propyl]-4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole
CID 91465133
4-(4-chlorophenyl)-5-(3-imidazol-1-ylpropyl)-2-(2-methyl-1H-imidazol-5-yl)-1,3-oxazole
CID 69046525
4-(4-chlorophenyl)-5-[3-(2-methoxyphenoxy)propyl]-2-(2-propyl-1H-imidazol-5-yl)-1,3-oxazole
CID 70113738
2-chloro-4-(4-chlorophenyl)-5-[3-(4-methylphenoxy)propyl]-1,3-oxazole
CID 11111224
2-[4-(2-methyl-1H-imidazol-5-yl)phenoxy]ethanamine
CID 12986051
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-(3-phenoxypropyl)-1,3-oxazole
CID 11731968
2-chloro-4-(4-chlorophenyl)-5-[6-(2-methylphenoxy)hexyl]-1,3-oxazole
CID 10938322
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2,4,6-trimethylphenoxy)propyl]-1,3-oxazole
CID 18174698
2-chloro-4-(4-chlorophenyl)-5-[3-(2-methylsulfanylphenoxy)propyl]-1,3-oxazole
CID 11003753
5-(3-chloro-4-fluorophenyl)-2-methyl-1H-imidazole
CID 116883867
4-(4-chlorophenyl)-2-(2-methylimidazol-1-yl)-5-[3-(2-methylphenoxy)propyl]-1,3-oxazole;hydrochloride
CID 23431810
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole?
The IUPAC name of 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole (CID 91583402) is 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole is Cc1ncc(-c2nc(-c3ccc(Cl)cc3)c(CCCOc3cc(C)c(C)c(C)c3)o2)[nH]1.
What is the InChIKey of 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole?
The InChIKey is ATJNYKDWZSGOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c1-15-12-21(13-16(2)17(15)3)30-11-5-6-23-24(19-7-9-20(26)10-8-19)29-25(31-23)22-14-27-18(4)28-22/h7-10,12-14H,5-6,11H2,1-4H3,(H,27,28).
What are the key properties of 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole?
4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole has a molecular weight of 435.96 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(2-methyl-1H-imidazol-5-yl)-5-[3-(3,4,5-trimethylphenoxy)propyl]-1,3-oxazole is sourced from PubChem (CID 91583402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).