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

C10H8F3N3O2 — CID 66165265

IUPAC2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)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(17)3-14/h1-2,7,17H,3,14H2
InChIKeyHEXSSFFEPWHHKU-UHFFFAOYSA-N
MW259.19 g/mol
LogP1.15
Rot. Bonds3

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

2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66165265) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66165265
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESNCC(O)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(17)3-14/h1-2,7,17H,3,14H2
InChIKeyHEXSSFFEPWHHKU-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66165265) is 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is NCC(O)c1nc(-c2cc(F)c(F)c(F)c2)no1.
What is the InChIKey of 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is HEXSSFFEPWHHKU-UHFFFAOYSA-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(17)3-14/h1-2,7,17H,3,14H2.
What are the key properties of 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[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 2-amino-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66165265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).