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

C10H7F3N2O2 — CID 54772354

IUPAC3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(C(F)(F)F)cc1-c1ncon1
InChIInChI=1S/C10H7F3N2O2/c1-16-8-3-2-6(10(11,12)13)4-7(8)9-14-5-17-15-9/h2-5H,1H3
InChIKeyDOGILQXHXCHRCQ-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.76
Rot. Bonds2

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

3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 54772354) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
PubChem CID54772354
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
SMILESCOc1ccc(C(F)(F)F)cc1-c1ncon1
InChIInChI=1S/C10H7F3N2O2/c1-16-8-3-2-6(10(11,12)13)4-7(8)9-14-5-17-15-9/h2-5H,1H3
InChIKeyDOGILQXHXCHRCQ-UHFFFAOYSA-N
XLogP2.76
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[2-methoxy-5-(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 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 54772354) is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is COc1ccc(C(F)(F)F)cc1-c1ncon1.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is DOGILQXHXCHRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-16-8-3-2-6(10(11,12)13)4-7(8)9-14-5-17-15-9/h2-5H,1H3.
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole?
3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 244.17 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 54772354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).