2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol

C11H11F2N3O2 — CID 66165067

IUPAC2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C11H11F2N3O2/c12-7-2-1-6(8(13)4-7)3-10-15-11(18-16-10)9(17)5-14/h1-2,4,9,17H,3,5,14H2
InChIKeyXYQUPQIOCVJYRZ-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.93
Rot. Bonds4

About 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol

2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66165067) has the molecular formula C11H11F2N3O2 and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66165067
Molecular FormulaC11H11F2N3O2
Molecular Weight255.22 g/mol
Exact Mass255.08
IUPAC Name2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)c1nc(Cc2ccc(F)cc2F)no1
InChIInChI=1S/C11H11F2N3O2/c12-7-2-1-6(8(13)4-7)3-10-15-11(18-16-10)9(17)5-14/h1-2,4,9,17H,3,5,14H2
InChIKeyXYQUPQIOCVJYRZ-UHFFFAOYSA-N
XLogP0.93
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-({[2-(3-Benzyl-1,2,4-oxadiazol-5-YL)ethyl]amino}methyl)-1,4-oxazepan-6-OL
CID 70718012
2-(3-Benzyl-1,2,4-oxadiazol-5-yl)ethan-1-amine hydrochloride
CID 46737068
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethan-1-ol
CID 66263014
2,2,2-trifluoro-N-[(2S)-1-hydroxy-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-yl]acetamide
CID 58955256
1-(3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl)ethanol
CID 63345725
[3-(2,4,6-Trifluorophenyl)-1,2,4-oxadiazol-5-yl]methanol
CID 91535856
2-[3-[[4-(Trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 10754567
(2S)-2-amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 10776242
2-(3-Benzyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 25220843
2-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 43152229
2-Amino-2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 43152234
1-Amino-1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43152238

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol (CID 66165067) is 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is NCC(O)c1nc(Cc2ccc(F)cc2F)no1.
What is the InChIKey of 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is XYQUPQIOCVJYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2/c12-7-2-1-6(8(13)4-7)3-10-15-11(18-16-10)9(17)5-14/h1-2,4,9,17H,3,5,14H2.
What are the key properties of 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 255.22 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66165067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).