3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C10H7F4NO2 — CID 67362753

IUPAC3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-1-2-6(4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyYZWNFEGRQSVMOO-UHFFFAOYSA-N
MW249.16 g/mol
LogP2.20
Rot. Bonds1

About 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 67362753) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID67362753
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(C(F)(F)F)CC(c2cccc(F)c2)=NO1
InChIInChI=1S/C10H7F4NO2/c11-7-3-1-2-6(4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2
InChIKeyYZWNFEGRQSVMOO-UHFFFAOYSA-N
XLogP2.20
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 143608209
3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2742980
(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721
1-benzyl-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652464
3-(6-chloro-3-pyridinyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744115
3-[4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155414103
3-[4-(2-phenyl-4-pyridinyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155414487
3-(4-pyrimidin-5-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 142608931
3-(4-phenylsulfanylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413344
3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2881249
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzaldehyde
CID 155412938

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 67362753) is 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is OC1(C(F)(F)F)CC(c2cccc(F)c2)=NO1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is YZWNFEGRQSVMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-7-3-1-2-6(4-7)8-5-9(16,17-15-8)10(12,13)14/h1-4,16H,5H2.
What are the key properties of 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 249.16 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 67362753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).