3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

C20H12ClF5N4OS — CID 139532606

IUPAC3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)Sc1nc(-c2ccc(Cl)cc2)cn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H12ClF5N4OS/c21-14-7-5-12(6-8-14)15-10-30(19(27-15)32-18(22)23)9-11-1-3-13(4-2-11)16-28-17(31-29-16)20(24,25)26/h1-8,10,18H,9H2
InChIKeyYDDBUXKIIJITOT-UHFFFAOYSA-N
MW486.85 g/mol
LogP6.64
Rot. Bonds6

About 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 139532606) has the molecular formula C20H12ClF5N4OS and a molecular weight of 486.85 g/mol. Its IUPAC name is 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID139532606
Molecular FormulaC20H12ClF5N4OS
Molecular Weight486.85 g/mol
Exact Mass486.03
IUPAC Name3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)Sc1nc(-c2ccc(Cl)cc2)cn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C20H12ClF5N4OS/c21-14-7-5-12(6-8-14)15-10-30(19(27-15)32-18(22)23)9-11-1-3-13(4-2-11)16-28-17(31-29-16)20(24,25)26/h1-8,10,18H,9H2
InChIKeyYDDBUXKIIJITOT-UHFFFAOYSA-N
XLogP6.64
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.85
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

3-[4-[(4-iodopyrazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532637
3-[6-[[4-(4-chlorophenyl)triazol-1-yl]methyl]-3-pyridinyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139546541
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1,2,4-triazol-3-amine
CID 162746240
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyrazole-4-carboxylic acid
CID 137371847
3-[4-(triazolo[4,5-b]pyridin-4-ylmethyl)phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 135353242
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]imidazole-2-carbaldehyde
CID 139532705
3-[4-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 166793542
3-[4-[(5-methylindol-1-yl)methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 139532772
(4-chlorophenyl)-methyl-oxo-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylimino]-λ6-sulfane
CID 155269165
3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pentane-2,4-dione
CID 137412256
3-methyl-2-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-1H-pyrazol-5-one
CID 139532702
3-[4-[[5-(methoxymethyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 137414258

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 139532606) is 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)Sc1nc(-c2ccc(Cl)cc2)cn1Cc1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is YDDBUXKIIJITOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF5N4OS/c21-14-7-5-12(6-8-14)15-10-30(19(27-15)32-18(22)23)9-11-1-3-13(4-2-11)16-28-17(31-29-16)20(24,25)26/h1-8,10,18H,9H2.
What are the key properties of 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 486.85 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(4-chlorophenyl)-2-(difluoromethylsulfanyl)imidazol-1-yl]methyl]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 139532606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).