5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

C14H11F3N4O — CID 2743875

IUPAC5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n(C)n1
InChIInChI=1S/C14H11F3N4O/c1-8-7-11(21(2)19-8)13-18-12(20-22-13)9-3-5-10(6-4-9)14(15,16)17/h3-7H,1-2H3
InChIKeySVZXSWLDZFBANZ-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.46
Rot. Bonds2

About 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2743875) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID2743875
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n(C)n1
InChIInChI=1S/C14H11F3N4O/c1-8-7-11(21(2)19-8)13-18-12(20-22-13)9-3-5-10(6-4-9)14(15,16)17/h3-7H,1-2H3
InChIKeySVZXSWLDZFBANZ-UHFFFAOYSA-N
XLogP3.46
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)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-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 2743875) is 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is Cc1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)n(C)n1.
What is the InChIKey of 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is SVZXSWLDZFBANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-8-7-11(21(2)19-8)13-18-12(20-22-13)9-3-5-10(6-4-9)14(15,16)17/h3-7H,1-2H3.
What are the key properties of 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 308.26 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2743875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).