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

C14H15FN2O3 — CID 106474069

IUPAC3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCc1cc(-c2noc(C3COCCC3O)n2)ccc1F
InChIInChI=1S/C14H15FN2O3/c1-8-6-9(2-3-11(8)15)13-16-14(20-17-13)10-7-19-5-4-12(10)18/h2-3,6,10,12,18H,4-5,7H2,1H3
InChIKeyIVOXXVPLARLUDU-UHFFFAOYSA-N
MW278.28 g/mol
LogP2.05
Rot. Bonds2

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

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474069) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474069
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCc1cc(-c2noc(C3COCCC3O)n2)ccc1F
InChIInChI=1S/C14H15FN2O3/c1-8-6-9(2-3-11(8)15)13-16-14(20-17-13)10-7-19-5-4-12(10)18/h2-3,6,10,12,18H,4-5,7H2,1H3
InChIKeyIVOXXVPLARLUDU-UHFFFAOYSA-N
XLogP2.05
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
3-(4-fluoro-3-methylphenyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63719853
3-(4-fluoro-3-methylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 54933319
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474212
(3S,5S)-5-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912199
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474196
3-(4-fluoro-3-methylphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838743
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474168
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964
3-(4-fluoro-3-methylphenyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93350958
(2R)-2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 120838766
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474272

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474069) is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is Cc1cc(-c2noc(C3COCCC3O)n2)ccc1F.
What is the InChIKey of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is IVOXXVPLARLUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c1-8-6-9(2-3-11(8)15)13-16-14(20-17-13)10-7-19-5-4-12(10)18/h2-3,6,10,12,18H,4-5,7H2,1H3.
What are the key properties of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 278.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).