2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole

C19H11F4N3O — CID 69356870

IUPAC2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole
SMILESFc1ccc(C(F)(F)F)cc1-n1cc(-c2ccccc2-c2ncco2)cn1
InChIInChI=1S/C19H11F4N3O/c20-16-6-5-13(19(21,22)23)9-17(16)26-11-12(10-25-26)14-3-1-2-4-15(14)18-24-7-8-27-18/h1-11H
InChIKeyOBVVLTOANCBBQZ-UHFFFAOYSA-N
MW373.31 g/mol
LogP5.35
Rot. Bonds3

About 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole

2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole (PubChem CID 69356870) has the molecular formula C19H11F4N3O and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole
PubChem CID69356870
Molecular FormulaC19H11F4N3O
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole
SMILESFc1ccc(C(F)(F)F)cc1-n1cc(-c2ccccc2-c2ncco2)cn1
InChIInChI=1S/C19H11F4N3O/c20-16-6-5-13(19(21,22)23)9-17(16)26-11-12(10-25-26)14-3-1-2-4-15(14)18-24-7-8-27-18/h1-11H
InChIKeyOBVVLTOANCBBQZ-UHFFFAOYSA-N
XLogP5.35
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.31
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole 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-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole?
The IUPAC name of 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole (CID 69356870) is 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole is Fc1ccc(C(F)(F)F)cc1-n1cc(-c2ccccc2-c2ncco2)cn1.
What is the InChIKey of 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole?
The InChIKey is OBVVLTOANCBBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O/c20-16-6-5-13(19(21,22)23)9-17(16)26-11-12(10-25-26)14-3-1-2-4-15(14)18-24-7-8-27-18/h1-11H.
What are the key properties of 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole?
2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole has a molecular weight of 373.31 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazol-4-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 69356870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).