2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol

C12H13FN2O2 — CID 136809747

IUPAC2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
SMILESCC(C)(C)c1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C12H13FN2O2/c1-12(2,3)11-14-10(17-15-11)8-5-4-7(13)6-9(8)16/h4-6,16H,1-3H3
InChIKeyKHDKKHPFXIGUJN-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.88
Rot. Bonds1

About 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol (PubChem CID 136809747) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol.

Molecular Properties

Compound Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
PubChem CID136809747
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
SMILESCC(C)(C)c1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C12H13FN2O2/c1-12(2,3)11-14-10(17-15-11)8-5-4-7(13)6-9(8)16/h4-6,16H,1-3H3
InChIKeyKHDKKHPFXIGUJN-UHFFFAOYSA-N
XLogP2.88
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789988
5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809814
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136789913
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789957
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011382
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136964407
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790013
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 113400116
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
The IUPAC name of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol (CID 136809747) is 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol.
What is the SMILES notation for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
The canonical SMILES for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol is CC(C)(C)c1noc(-c2ccc(F)cc2O)n1.
What is the InChIKey of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
The InChIKey is KHDKKHPFXIGUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-12(2,3)11-14-10(17-15-11)8-5-4-7(13)6-9(8)16/h4-6,16H,1-3H3.
What are the key properties of 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol has a molecular weight of 236.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol is sourced from PubChem (CID 136809747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).