3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

C12H12FN3O3 — CID 106474168

IUPAC3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H12FN3O3/c13-7-1-2-9(14-5-7)11-15-12(19-16-11)8-6-18-4-3-10(8)17/h1-2,5,8,10,17H,3-4,6H2
InChIKeyWLFCWTUTPROTTL-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.14
Rot. Bonds2

About 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474168) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474168
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(-c2ccc(F)cn2)no1
InChIInChI=1S/C12H12FN3O3/c13-7-1-2-9(14-5-7)11-15-12(19-16-11)8-6-18-4-3-10(8)17/h1-2,5,8,10,17H,3-4,6H2
InChIKeyWLFCWTUTPROTTL-UHFFFAOYSA-N
XLogP1.14
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474196
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79719199
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474212
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474069
3-(5-fluoro-2-pyridinyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 79719777
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
3-(5-fluoro-2-pyridinyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915048
2-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 79720207
3-(5-fluoro-2-pyridinyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911952
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474072

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474168) is 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is OC1CCOCC1c1nc(-c2ccc(F)cn2)no1.
What is the InChIKey of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is WLFCWTUTPROTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-7-1-2-9(14-5-7)11-15-12(19-16-11)8-6-18-4-3-10(8)17/h1-2,5,8,10,17H,3-4,6H2.
What are the key properties of 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 265.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).