4-phenyl-3-(trifluoromethoxy)-1,2-oxazole

C10H6F3NO2 — CID 146635855

IUPAC4-phenyl-3-(trifluoromethoxy)-1,2-oxazole
SMILESFC(F)(F)Oc1nocc1-c1ccccc1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)16-9-8(6-15-14-9)7-4-2-1-3-5-7/h1-6H
InChIKeyWYDITAOKLGADJL-UHFFFAOYSA-N
MW229.16 g/mol
LogP3.24
Rot. Bonds2

About 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole

4-phenyl-3-(trifluoromethoxy)-1,2-oxazole (PubChem CID 146635855) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole.

Molecular Properties

Compound Name4-phenyl-3-(trifluoromethoxy)-1,2-oxazole
PubChem CID146635855
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name4-phenyl-3-(trifluoromethoxy)-1,2-oxazole
SMILESFC(F)(F)Oc1nocc1-c1ccccc1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)16-9-8(6-15-14-9)7-4-2-1-3-5-7/h1-6H
InChIKeyWYDITAOKLGADJL-UHFFFAOYSA-N
XLogP3.24
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-phenyl-2-(trifluoromethoxy)phenyl]methanol
CID 174537079
3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole
CID 91007673
3-phenyl-2-(trifluoromethoxy)aniline
CID 68852161
2-bromo-1-phenyl-4-(trifluoromethoxy)benzene
CID 74892048
2-phenyl-4-(trifluoromethoxy)benzenethiol
CID 90189291
trifluoromethoxybenzene
CID 157402708
4-phenyl-2,1-benzoxazole
CID 14528185
5-phenyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 152606381
trifluoromethoxybenzene fluoride
CID 158305019
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-phenyl-5-(trifluoromethoxy)benzoic acid
CID 146035183
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole?
The IUPAC name of 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole (CID 146635855) is 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole.
What is the SMILES notation for 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole?
The canonical SMILES for 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole is FC(F)(F)Oc1nocc1-c1ccccc1.
What is the InChIKey of 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole?
The InChIKey is WYDITAOKLGADJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)16-9-8(6-15-14-9)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole?
4-phenyl-3-(trifluoromethoxy)-1,2-oxazole has a molecular weight of 229.16 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(trifluoromethoxy)-1,2-oxazole is sourced from PubChem (CID 146635855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).