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

C13H13F3N2O3 — CID 104952588

IUPAC1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESOC(Cc1nc(COCC(F)(F)F)no1)c1ccccc1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-20-7-11-17-12(21-18-11)6-10(19)9-4-2-1-3-5-9/h1-5,10,19H,6-8H2
InChIKeyQGGMSTQJEVSQIM-UHFFFAOYSA-N
MW302.25 g/mol
LogP2.42
Rot. Bonds6

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

1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104952588) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104952588
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC Name1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESOC(Cc1nc(COCC(F)(F)F)no1)c1ccccc1
InChIInChI=1S/C13H13F3N2O3/c14-13(15,16)8-20-7-11-17-12(21-18-11)6-10(19)9-4-2-1-3-5-9/h1-5,10,19H,6-8H2
InChIKeyQGGMSTQJEVSQIM-UHFFFAOYSA-N
XLogP2.42
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349417
2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 55202211
1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 103476745
phenyl-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 103472421
3-methyl-4-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 103473247
2-methyl-3-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104880602
2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63349793
1-phenyl-2-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-4-yl]ethanol
CID 103476126
O-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]hydroxylamine
CID 103472753
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 63345170
N-[[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 104880637
2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 65137037

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104952588) is 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol is OC(Cc1nc(COCC(F)(F)F)no1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QGGMSTQJEVSQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c14-13(15,16)8-20-7-11-17-12(21-18-11)6-10(19)9-4-2-1-3-5-9/h1-5,10,19H,6-8H2.
What are the key properties of 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol?
1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 302.25 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104952588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).