(2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol

C10H8F3N3O2 — CID 104915667

IUPAC(2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(-c2cc(F)c(F)c(F)c2)no1
InChIInChI=1S/C10H8F3N3O2/c11-5-1-4(2-6(12)8(5)13)9-15-10(18-16-9)7(14)3-17/h1-2,7,17H,3,14H2/t7-/m1/s1
InChIKeyXAVKORAFQHIGFV-SSDOTTSWSA-N
MW259.19 g/mol
LogP1.15
Rot. Bonds3

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

(2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915667) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915667
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name(2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESN[C@H](CO)c1nc(-c2cc(F)c(F)c(F)c2)no1
InChIInChI=1S/C10H8F3N3O2/c11-5-1-4(2-6(12)8(5)13)9-15-10(18-16-9)7(14)3-17/h1-2,7,17H,3,14H2/t7-/m1/s1
InChIKeyXAVKORAFQHIGFV-SSDOTTSWSA-N
XLogP1.15
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-3-methyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832706
2-amino-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 43514739
(2S)-2-amino-2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104916032
2-amino-2-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 81491989
(2S)-2-amino-2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 93251327
(2R)-2-amino-2-[3-(2,6-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 114985996
2-amino-2-(3-quinolin-6-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 63097003
4-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136999024
N-ethyl-3-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350803
(1R)-1-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 103832498
4-[5-(1-amino-2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810007
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
CID 119947990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915667) is (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is N[C@H](CO)c1nc(-c2cc(F)c(F)c(F)c2)no1.
What is the InChIKey of (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is XAVKORAFQHIGFV-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-5-1-4(2-6(12)8(5)13)9-15-10(18-16-9)7(14)3-17/h1-2,7,17H,3,14H2/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
(2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 259.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).