(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol

C10H9FN2O2 — CID 66263014

IUPAC(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C10H9FN2O2/c1-6(14)10-12-9(13-15-10)7-3-2-4-8(11)5-7/h2-6,14H,1H3/t6-/m0/s1
InChIKeyJAKUXLYGBOOPHJ-LURJTMIESA-N
MW208.19 g/mol
LogP1.93
Rot. Bonds2

About (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol

(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66263014) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66263014
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cccc(F)c2)no1
InChIInChI=1S/C10H9FN2O2/c1-6(14)10-12-9(13-15-10)7-3-2-4-8(11)5-7/h2-6,14H,1H3/t6-/m0/s1
InChIKeyJAKUXLYGBOOPHJ-LURJTMIESA-N
XLogP1.93
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66263014) is (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is C[C@H](O)c1nc(-c2cccc(F)c2)no1.
What is the InChIKey of (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is JAKUXLYGBOOPHJ-LURJTMIESA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-6(14)10-12-9(13-15-10)7-3-2-4-8(11)5-7/h2-6,14H,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 208.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66263014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).