5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol

C12H11FN2O2 — CID 136789957

IUPAC5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1(c2noc(-c3ccc(F)cc3O)n2)CC1
InChIInChI=1S/C12H11FN2O2/c1-12(4-5-12)11-14-10(17-15-11)8-3-2-7(13)6-9(8)16/h2-3,6,16H,4-5H2,1H3
InChIKeyXTBNLCHFSUWZIL-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.63
Rot. Bonds2

About 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol

5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136789957) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136789957
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC1(c2noc(-c3ccc(F)cc3O)n2)CC1
InChIInChI=1S/C12H11FN2O2/c1-12(4-5-12)11-14-10(17-15-11)8-3-2-7(13)6-9(8)16/h2-3,6,16H,4-5H2,1H3
InChIKeyXTBNLCHFSUWZIL-UHFFFAOYSA-N
XLogP2.63
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
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
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
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-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136964407
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354112
5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790013
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136789913
5-fluoro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136905979

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136789957) is 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol is CC1(c2noc(-c3ccc(F)cc3O)n2)CC1.
What is the InChIKey of 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is XTBNLCHFSUWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c1-12(4-5-12)11-14-10(17-15-11)8-3-2-7(13)6-9(8)16/h2-3,6,16H,4-5H2,1H3.
What are the key properties of 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol?
5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 234.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136789957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).