2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol

C20H12F3NO2 — CID 142246938

IUPAC2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(-c3ccccc3C(F)(F)F)cc2o1
InChIInChI=1S/C20H12F3NO2/c21-20(22,23)15-7-3-1-5-13(15)12-9-10-16-18(11-12)26-19(24-16)14-6-2-4-8-17(14)25/h1-11,25H
InChIKeyPZJZUNVFHDPZKJ-UHFFFAOYSA-N
MW355.32 g/mol
LogP5.89
Rot. Bonds2

About 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol

2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol (PubChem CID 142246938) has the molecular formula C20H12F3NO2 and a molecular weight of 355.32 g/mol. Its IUPAC name is 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol.

Molecular Properties

Compound Name2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol
PubChem CID142246938
Molecular FormulaC20H12F3NO2
Molecular Weight355.32 g/mol
Exact Mass355.08
IUPAC Name2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol
SMILESOc1ccccc1-c1nc2ccc(-c3ccccc3C(F)(F)F)cc2o1
InChIInChI=1S/C20H12F3NO2/c21-20(22,23)15-7-3-1-5-13(15)12-9-10-16-18(11-12)26-19(24-16)14-6-2-4-8-17(14)25/h1-11,25H
InChIKeyPZJZUNVFHDPZKJ-UHFFFAOYSA-N
XLogP5.89
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.32
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol 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-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol?
The IUPAC name of 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol (CID 142246938) is 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol.
What is the SMILES notation for 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol?
The canonical SMILES for 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol is Oc1ccccc1-c1nc2ccc(-c3ccccc3C(F)(F)F)cc2o1.
What is the InChIKey of 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol?
The InChIKey is PZJZUNVFHDPZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3NO2/c21-20(22,23)15-7-3-1-5-13(15)12-9-10-16-18(11-12)26-19(24-16)14-6-2-4-8-17(14)25/h1-11,25H.
What are the key properties of 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol?
2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol has a molecular weight of 355.32 g/mol, XLogP of 5.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]phenol is sourced from PubChem (CID 142246938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).