[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol

C10H7F3N2O3 — CID 23205017

IUPAC[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)15-18-9/h1-4,16H,5H2
InChIKeyZUEWJCPAIJIJKL-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.13
Rot. Bonds3

About [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol

[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 23205017) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
PubChem CID23205017
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)15-18-9/h1-4,16H,5H2
InChIKeyZUEWJCPAIJIJKL-UHFFFAOYSA-N
XLogP2.13
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
2-fluoro-4-[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 155580349
(2S)-2-(methylamino)-2-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 145159612
5-phenyl-3-[[1-[4-(trifluoromethoxy)phenyl]tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 78827203
3-[[3-(3H-1,2,4-oxadiazol-2-ylmethyl)phenoxy]methyl]-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 161015402
3-pyrrolidin-2-yl-5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 116629199
N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 99802899
(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102922045
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091
ethane;3-ethyl-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 143067916
4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carbothioamide
CID 3727973
2-[[3-[[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
CID 10671245

Frequently Asked Questions

What is the IUPAC name of [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol (CID 23205017) is [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is ZUEWJCPAIJIJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c11-10(12,13)17-7-3-1-6(2-4-7)9-14-8(5-16)15-18-9/h1-4,16H,5H2.
What are the key properties of [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol?
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 260.17 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 23205017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).