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

C5H4F3NO2 — CID 15365200

IUPAC[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C(F)(F)F)on1
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)9-11-4/h1,10H,2H2
InChIKeyLCZLXKZLTFWBHQ-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.19
Rot. Bonds1

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

[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol (PubChem CID 15365200) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol
PubChem CID15365200
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol
SMILESOCc1cc(C(F)(F)F)on1
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)9-11-4/h1,10H,2H2
InChIKeyLCZLXKZLTFWBHQ-UHFFFAOYSA-N
XLogP1.19
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-5-isoxazolecarboxylic acid
CID 76947
(3-Methylisoxazol-5-yl)methanol
CID 10820493
(5-Methyl-1,2-oxazol-3-yl)methanol
CID 2736567
1-(5-Methyl-1,2-oxazol-3-yl)ethan-1-ol
CID 13321090
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
5-(Difluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 84651491
(5-Tert-butyl-1,2-oxazol-3-yl)methanol
CID 10820794
[5-(Propan-2-yl)-1,2-oxazol-3-yl]methanol
CID 25220768
5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 10374574
(5-Ethyl-1,2-oxazol-3-yl)methanol
CID 12278245
(3-(Trifluoromethyl)-1,2-oxazol-5-yl)methanol
CID 13307993
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanol
CID 19958730

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol (CID 15365200) is [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol is OCc1cc(C(F)(F)F)on1.
What is the InChIKey of [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
The InChIKey is LCZLXKZLTFWBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)9-11-4/h1,10H,2H2.
What are the key properties of [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol?
[5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol has a molecular weight of 167.09 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 15365200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).