1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol

C12H11F3N2O2 — CID 63349417

IUPAC1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESOC(Cc1nc(CC(F)(F)F)no1)c1ccccc1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-10-16-11(19-17-10)6-9(18)8-4-2-1-3-5-8/h1-5,9,18H,6-7H2
InChIKeyZEXHGHJQTLIQCE-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.45
Rot. Bonds4

About 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol

1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 63349417) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID63349417
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESOC(Cc1nc(CC(F)(F)F)no1)c1ccccc1
InChIInChI=1S/C12H11F3N2O2/c13-12(14,15)7-10-16-11(19-17-10)6-9(18)8-4-2-1-3-5-8/h1-5,9,18H,6-7H2
InChIKeyZEXHGHJQTLIQCE-UHFFFAOYSA-N
XLogP2.45
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104952588
phenyl-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 63844917
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 63345170
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037
2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345481
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762
1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350324
[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 61392905
2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 116808988

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 63349417) is 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol is OC(Cc1nc(CC(F)(F)F)no1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is ZEXHGHJQTLIQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c13-12(14,15)7-10-16-11(19-17-10)6-9(18)8-4-2-1-3-5-8/h1-5,9,18H,6-7H2.
What are the key properties of 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 272.23 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 63349417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).