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

C15H17FN2O2 — CID 136789933

IUPAC2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
SMILESOc1cc(F)ccc1-c1nc(C2CCCCCC2)no1
InChIInChI=1S/C15H17FN2O2/c16-11-7-8-12(13(19)9-11)15-17-14(18-20-15)10-5-3-1-2-4-6-10/h7-10,19H,1-6H2
InChIKeyLFFBVAGIYCZMGT-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.02
Rot. Bonds2

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

2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol (PubChem CID 136789933) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol.

Molecular Properties

Compound Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
PubChem CID136789933
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
SMILESOc1cc(F)ccc1-c1nc(C2CCCCCC2)no1
InChIInChI=1S/C15H17FN2O2/c16-11-7-8-12(13(19)9-11)15-17-14(18-20-15)10-5-3-1-2-4-6-10/h7-10,19H,1-6H2
InChIKeyLFFBVAGIYCZMGT-UHFFFAOYSA-N
XLogP4.02
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluoroaniline
CID 80609851
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813482
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
CID 82830760
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789957
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
5-fluoro-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790083
5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789988
3-(azepan-2-yl)-5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazole
CID 103972121
3-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827647

Frequently Asked Questions

What is the IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
The IUPAC name of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol (CID 136789933) is 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol.
What is the SMILES notation for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
The canonical SMILES for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol is Oc1cc(F)ccc1-c1nc(C2CCCCCC2)no1.
What is the InChIKey of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
The InChIKey is LFFBVAGIYCZMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-7-8-12(13(19)9-11)15-17-14(18-20-15)10-5-3-1-2-4-6-10/h7-10,19H,1-6H2.
What are the key properties of 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol?
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol has a molecular weight of 276.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol is sourced from PubChem (CID 136789933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).