6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole

C20H10F5NO — CID 23025649

IUPAC6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFc1cc(-c2nc3ccc(-c4ccccc4F)cc3o2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H10F5NO/c21-14-8-12(7-13(10-14)20(23,24)25)19-26-17-6-5-11(9-18(17)27-19)15-3-1-2-4-16(15)22/h1-10H
InChIKeyYQKOSLPRNMGGQS-UHFFFAOYSA-N
MW375.30 g/mol
LogP6.46
Rot. Bonds2

About 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole

6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole (PubChem CID 23025649) has the molecular formula C20H10F5NO and a molecular weight of 375.30 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole
PubChem CID23025649
Molecular FormulaC20H10F5NO
Molecular Weight375.30 g/mol
Exact Mass375.07
IUPAC Name6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole
SMILESFc1cc(-c2nc3ccc(-c4ccccc4F)cc3o2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H10F5NO/c21-14-8-12(7-13(10-14)20(23,24)25)19-26-17-6-5-11(9-18(17)27-19)15-3-1-2-4-16(15)22/h1-10H
InChIKeyYQKOSLPRNMGGQS-UHFFFAOYSA-N
XLogP6.46
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.30
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole 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 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole (CID 23025649) is 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole is Fc1cc(-c2nc3ccc(-c4ccccc4F)cc3o2)cc(C(F)(F)F)c1.
What is the InChIKey of 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole?
The InChIKey is YQKOSLPRNMGGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F5NO/c21-14-8-12(7-13(10-14)20(23,24)25)19-26-17-6-5-11(9-18(17)27-19)15-3-1-2-4-16(15)22/h1-10H.
What are the key properties of 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole?
6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole has a molecular weight of 375.30 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 23025649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).