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

C10H8BrFN2O2 — CID 66424909

IUPAC(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C10H8BrFN2O2/c1-5(15)10-13-9(14-16-10)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3/t5-/m0/s1
InChIKeyQKEIEWBWACQWJH-YFKPBYRVSA-N
MW287.09 g/mol
LogP2.69
Rot. Bonds2

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

(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 66424909) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID66424909
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESC[C@H](O)c1nc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C10H8BrFN2O2/c1-5(15)10-13-9(14-16-10)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3/t5-/m0/s1
InChIKeyQKEIEWBWACQWJH-YFKPBYRVSA-N
XLogP2.69
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 66424909) is (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is C[C@H](O)c1nc(-c2cc(F)cc(Br)c2)no1.
What is the InChIKey of (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is QKEIEWBWACQWJH-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-5(15)10-13-9(14-16-10)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol?
(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 287.09 g/mol, XLogP of 2.69, 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-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 66424909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).