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

C24H18F4N6O — CID 177181184

IUPAC5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C(F)(F)F)cn2C)ccc1-c1noc(-c2ccc(F)cc2-c2cnn(C)c2)n1
InChIInChI=1S/C24H18F4N6O/c1-13-8-14(22-30-20(12-33(22)2)24(26,27)28)4-6-17(13)21-31-23(35-32-21)18-7-5-16(25)9-19(18)15-10-29-34(3)11-15/h4-12H,1-3H3
InChIKeyOEAXKHARVLTONX-UHFFFAOYSA-N
MW482.44 g/mol
LogP5.67
Rot. Bonds4

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

5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 177181184) has the molecular formula C24H18F4N6O and a molecular weight of 482.44 g/mol. Its IUPAC name is 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole
PubChem CID177181184
Molecular FormulaC24H18F4N6O
Molecular Weight482.44 g/mol
Exact Mass482.15
IUPAC Name5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(C(F)(F)F)cn2C)ccc1-c1noc(-c2ccc(F)cc2-c2cnn(C)c2)n1
InChIInChI=1S/C24H18F4N6O/c1-13-8-14(22-30-20(12-33(22)2)24(26,27)28)4-6-17(13)21-31-23(35-32-21)18-7-5-16(25)9-19(18)15-10-29-34(3)11-15/h4-12H,1-3H3
InChIKeyOEAXKHARVLTONX-UHFFFAOYSA-N
XLogP5.67
TPSA74.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole (CID 177181184) is 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole is Cc1cc(-c2nc(C(F)(F)F)cn2C)ccc1-c1noc(-c2ccc(F)cc2-c2cnn(C)c2)n1.
What is the InChIKey of 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole?
The InChIKey is OEAXKHARVLTONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N6O/c1-13-8-14(22-30-20(12-33(22)2)24(26,27)28)4-6-17(13)21-31-23(35-32-21)18-7-5-16(25)9-19(18)15-10-29-34(3)11-15/h4-12H,1-3H3.
What are the key properties of 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole?
5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 482.44 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-(1-methylpyrazol-4-yl)phenyl]-3-[2-methyl-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 177181184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).