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

C5H4F3NO2 — CID 13307993

IUPAC[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(C(F)(F)F)no1
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)11-9-4/h1,10H,2H2
InChIKeySDBWSJXWRRQFKC-UHFFFAOYSA-N
MW167.09 g/mol
LogP1.19
Rot. Bonds1

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

[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol (PubChem CID 13307993) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol
PubChem CID13307993
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol
SMILESOCc1cc(C(F)(F)F)no1
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)11-9-4/h1,10H,2H2
InChIKeySDBWSJXWRRQFKC-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-Methylisoxazole-5-carboxylic acid
CID 853085
(3-Methylisoxazol-5-yl)methanol
CID 10820493
1-(5-(Hydroxymethyl)isoxazol-3-yl)ethanone
CID 10558709
(5-Methyl-1,2-oxazol-3-yl)methanol
CID 2736567
[5-(Trifluoromethyl)-1,2-oxazol-3-yl]methanol
CID 15365200
(3-Tert-butyl-1,2-oxazol-5-YL)methanol
CID 12920232
3-Methyl-5-(trifluoromethyl)-1,2-oxazole
CID 16443300
(3-(Propan-2-yl)-1,2-oxazol-5-yl)methanol
CID 14439316
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanol
CID 19958730
3-(Trifluoromethyl)-1,2-oxazole-5-carboxylic acid
CID 28952419
3-(2,2,2-Trifluoro-ethyl)-isoxazole-5-carboxylic acid
CID 68379842
(4-Iodo-3-methylisoxazol-5-yl)methanol
CID 91618242

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol?
The IUPAC name of [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol (CID 13307993) is [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol.
What is the SMILES notation for [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol?
The canonical SMILES for [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol is OCc1cc(C(F)(F)F)no1.
What is the InChIKey of [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol?
The InChIKey is SDBWSJXWRRQFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c6-5(7,8)4-1-3(2-10)11-9-4/h1,10H,2H2.
What are the key properties of [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol?
[3-(trifluoromethyl)-1,2-oxazol-5-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 [3-(trifluoromethyl)-1,2-oxazol-5-yl]methanol is sourced from PubChem (CID 13307993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).