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

C11H8F3NO2 — CID 115093775

IUPAC[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)9-3-1-2-7(4-9)10-8(6-16)5-15-17-10/h1-5,16H,6H2
InChIKeyFFAOQQGGPYHCAB-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.85
Rot. Bonds2

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

[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol (PubChem CID 115093775) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
PubChem CID115093775
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
SMILESOCc1cnoc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)9-3-1-2-7(4-9)10-8(6-16)5-15-17-10/h1-5,16H,6H2
InChIKeyFFAOQQGGPYHCAB-UHFFFAOYSA-N
XLogP2.85
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]methanol
CID 22221442
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
N-methyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanamine
CID 65239756
[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 66939465
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216211
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
[2-fluoro-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089796
[5-(2-fluorophenyl)-1,2-oxazol-4-yl]methanol
CID 115093787
4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191685

Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol (CID 115093775) is [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol is OCc1cnoc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is FFAOQQGGPYHCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)9-3-1-2-7(4-9)10-8(6-16)5-15-17-10/h1-5,16H,6H2.
What are the key properties of [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol?
[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 243.18 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 115093775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).