2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C29H21F5N4O2 — CID 176550837

IUPAC2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(COC(Cn2ccnc2)c2ccc(F)cc2F)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C29H21F5N4O2/c1-2-19-4-3-18(16-39-26(15-38-12-11-35-17-38)23-10-9-22(30)14-25(23)31)13-24(19)28-37-36-27(40-28)20-5-7-21(8-6-20)29(32,33)34/h2-14,17,26H,1,15-16H2
InChIKeyHEPGTVMBHOXZQC-UHFFFAOYSA-N
MW552.50 g/mol
LogP7.50
Rot. Bonds9

About 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 176550837) has the molecular formula C29H21F5N4O2 and a molecular weight of 552.50 g/mol. Its IUPAC name is 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID176550837
Molecular FormulaC29H21F5N4O2
Molecular Weight552.50 g/mol
Exact Mass552.16
IUPAC Name2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESC=Cc1ccc(COC(Cn2ccnc2)c2ccc(F)cc2F)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1
InChIInChI=1S/C29H21F5N4O2/c1-2-19-4-3-18(16-39-26(15-38-12-11-35-17-38)23-10-9-22(30)14-25(23)31)13-24(19)28-37-36-27(40-28)20-5-7-21(8-6-20)29(32,33)34/h2-14,17,26H,1,15-16H2
InChIKeyHEPGTVMBHOXZQC-UHFFFAOYSA-N
XLogP7.50
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.50
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole 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 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 176550837) is 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is C=Cc1ccc(COC(Cn2ccnc2)c2ccc(F)cc2F)cc1-c1nnc(-c2ccc(C(F)(F)F)cc2)o1.
What is the InChIKey of 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is HEPGTVMBHOXZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F5N4O2/c1-2-19-4-3-18(16-39-26(15-38-12-11-35-17-38)23-10-9-22(30)14-25(23)31)13-24(19)28-37-36-27(40-28)20-5-7-21(8-6-20)29(32,33)34/h2-14,17,26H,1,15-16H2.
What are the key properties of 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 552.50 g/mol, XLogP of 7.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methyl]-2-ethenylphenyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 176550837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).