4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol

C16H10F3NO2 — CID 135432882

IUPAC4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
SMILESOc1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
InChIKeyZRHZEPFBMCFVEY-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.73
Rot. Bonds2

About 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol

4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol (PubChem CID 135432882) has the molecular formula C16H10F3NO2 and a molecular weight of 305.26 g/mol. Its IUPAC name is 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol.

Molecular Properties

Compound Name4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
PubChem CID135432882
Molecular FormulaC16H10F3NO2
Molecular Weight305.26 g/mol
Exact Mass305.07
IUPAC Name4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol
SMILESOc1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1
InChIInChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H
InChIKeyZRHZEPFBMCFVEY-UHFFFAOYSA-N
XLogP4.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(S)-Hydroxy(Phenyl)methyl]phenol
CID 70699441
3-(4-Hydroxy-phenyl)-benzo[d]isoxazol-5-ol
CID 135474625
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
CID 135496123
3-[3-(4-Hydroxyphenyl)isoxazol-5-yl]phenol
CID 135855877
3-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-5-[(R)-Hydroxy(Phenyl)methyl]phenol
CID 70699440
2-[3-(4-Fluorophenyl)-5-isoxazolyl]-4-methylphenol
CID 873889
5-Methyl-2-(3-phenyl-5-isoxazolyl)phenol
CID 873963
3-Benzyl-5-phenylisoxazole
CID 849566
2-(3-Phenyl-5-isoxazolyl)phenol
CID 873352

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
The IUPAC name of 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol (CID 135432882) is 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol.
What is the SMILES notation for 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
The canonical SMILES for 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol is Oc1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
The InChIKey is ZRHZEPFBMCFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO2/c17-16(18,19)15-13(10-4-2-1-3-5-10)14(20-22-15)11-6-8-12(21)9-7-11/h1-9,21H.
What are the key properties of 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol?
4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol has a molecular weight of 305.26 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]phenol is sourced from PubChem (CID 135432882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).