3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C13H14BrFN2O2 — CID 66425897

IUPAC3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(-c2cc(F)cc(Br)c2)no1)C(C)O
InChIInChI=1S/C13H14BrFN2O2/c1-3-11(7(2)18)13-16-12(17-19-13)8-4-9(14)6-10(15)5-8/h4-7,11,18H,3H2,1-2H3
InChIKeyHAYFTHDLYFQDQN-UHFFFAOYSA-N
MW329.17 g/mol
LogP3.51
Rot. Bonds4

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

3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 66425897) has the molecular formula C13H14BrFN2O2 and a molecular weight of 329.17 g/mol. Its IUPAC name is 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID66425897
Molecular FormulaC13H14BrFN2O2
Molecular Weight329.17 g/mol
Exact Mass328.02
IUPAC Name3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCCC(c1nc(-c2cc(F)cc(Br)c2)no1)C(C)O
InChIInChI=1S/C13H14BrFN2O2/c1-3-11(7(2)18)13-16-12(17-19-13)8-4-9(14)6-10(15)5-8/h4-7,11,18H,3H2,1-2H3
InChIKeyHAYFTHDLYFQDQN-UHFFFAOYSA-N
XLogP3.51
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66424909
3-(3-bromo-5-fluorophenyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
CID 66424308
(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145026
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345490
(1S)-1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263724
1-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349567
(1R)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899548
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63345437
1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 66423316
4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutanoic acid
CID 66425004
2-[[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072768
[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 66425589

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 66425897) is 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CCC(c1nc(-c2cc(F)cc(Br)c2)no1)C(C)O.
What is the InChIKey of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is HAYFTHDLYFQDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2O2/c1-3-11(7(2)18)13-16-12(17-19-13)8-4-9(14)6-10(15)5-8/h4-7,11,18H,3H2,1-2H3.
What are the key properties of 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 329.17 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 66425897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).