5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

C10H8F3NO — CID 123605125

IUPAC5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2ccccc2)CC=NO1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9(6-7-14-15-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeySHDQRZGGSIPPEZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.85
Rot. Bonds1

About 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole

5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (PubChem CID 123605125) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
PubChem CID123605125
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole
SMILESFC(F)(F)C1(c2ccccc2)CC=NO1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9(6-7-14-15-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeySHDQRZGGSIPPEZ-UHFFFAOYSA-N
XLogP2.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The IUPAC name of 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole (CID 123605125) is 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole.
What is the SMILES notation for 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The canonical SMILES for 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is FC(F)(F)C1(c2ccccc2)CC=NO1.
What is the InChIKey of 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
The InChIKey is SHDQRZGGSIPPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)9(6-7-14-15-9)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole?
5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole has a molecular weight of 215.17 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazole is sourced from PubChem (CID 123605125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).