5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole

C14H8F3NO — CID 135058168

IUPAC5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)13-18-11-8-10(6-7-12(11)19-13)9-4-2-1-3-5-9/h1-8H
InChIKeyZETUKEVSGAHMEG-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.51
Rot. Bonds1

About 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole

5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole (PubChem CID 135058168) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
PubChem CID135058168
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole
SMILESFC(F)(F)c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C14H8F3NO/c15-14(16,17)13-18-11-8-10(6-7-12(11)19-13)9-4-2-1-3-5-9/h1-8H
InChIKeyZETUKEVSGAHMEG-UHFFFAOYSA-N
XLogP4.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methanidyl-5-phenyl-1,3-benzoxazole;yttrium
CID 59968233
5-phenyl-2-[2-(5-phenyl-1,3-benzoxazol-2-yl)ethyl]-1,3-benzoxazole
CID 91675035
(5-phenyl-1,3-benzoxazol-2-yl)methanol
CID 22062842
4-(5-phenyl-1,3-benzoxazol-2-yl)aniline
CID 3933123
6-[4-oxo-2-(trifluoromethyl)-3,1-benzoxazin-6-yl]-2-(trifluoromethyl)-3,1-benzoxazin-4-one
CID 1107280
5-phenyl-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
CID 6139123
2-(3,5-dichlorophenyl)-5-phenyl-1,3-benzoxazole
CID 91678574
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanone
CID 5278388
5-phenyl-2-piperidin-1-yl-1,3-benzoxazole
CID 102300837
5-phenyl-2-pyridin-2-yl-1,3-benzoxazole
CID 132598032
2-(5-phenyl-1,3-benzoxazol-2-yl)acetic acid
CID 23468057
1-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]propan-2-amine
CID 84704388

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole?
The IUPAC name of 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole (CID 135058168) is 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole.
What is the SMILES notation for 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole?
The canonical SMILES for 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole is FC(F)(F)c1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole?
The InChIKey is ZETUKEVSGAHMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)13-18-11-8-10(6-7-12(11)19-13)9-4-2-1-3-5-9/h1-8H.
What are the key properties of 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole?
5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole has a molecular weight of 263.22 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(trifluoromethyl)-1,3-benzoxazole is sourced from PubChem (CID 135058168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).