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

C10H6F3NO — CID 878212

IUPAC3-phenyl-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2ccccc2)no1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H
InChIKeyBZXLQFJADYMYKX-UHFFFAOYSA-N
MW213.16 g/mol
LogP3.36
Rot. Bonds1

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

3-phenyl-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 878212) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 3-phenyl-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-phenyl-5-(trifluoromethyl)-1,2-oxazole
PubChem CID878212
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name3-phenyl-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(-c2ccccc2)no1
InChIInChI=1S/C10H6F3NO/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H
InChIKeyBZXLQFJADYMYKX-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
1-Propyl-5-(3-p-tolylisoxazol-5-yl)-1,2,3,6-tetrahydropyridine
CID 9817231
3-Methyl-5-phenylisoxazole
CID 136804
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
5-Amino-3-phenylisoxazole
CID 261201
3-(4-Methylphenyl)-1,2-oxazol-5-amine
CID 576446
3-Phenylisoxazole
CID 136798
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
3-Methyl-1,2-benzoxazole
CID 4068104
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-phenyl-5-(trifluoromethyl)-1,2-oxazole (CID 878212) is 3-phenyl-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-phenyl-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is BZXLQFJADYMYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)9-6-8(14-15-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 3-phenyl-5-(trifluoromethyl)-1,2-oxazole?
3-phenyl-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 213.16 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 878212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).