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

C14H8F2N2O2 — CID 136809721

IUPAC5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(F)ccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H8F2N2O2/c15-9-3-1-8(2-4-9)13-17-14(20-18-13)11-6-5-10(16)7-12(11)19/h1-7,19H
InChIKeyWLIWNCXLACMWIC-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.39
Rot. Bonds2

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

5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136809721) has the molecular formula C14H8F2N2O2 and a molecular weight of 274.23 g/mol. Its IUPAC name is 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136809721
Molecular FormulaC14H8F2N2O2
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Name5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(F)ccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H8F2N2O2/c15-9-3-1-8(2-4-9)13-17-14(20-18-13)11-6-5-10(16)7-12(11)19/h1-7,19H
InChIKeyWLIWNCXLACMWIC-UHFFFAOYSA-N
XLogP3.39
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789988
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-8-hydroxychromen-2-one
CID 20904234
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
5-fluoro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136905979
4-[3-(3-fluoro-5-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904205
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
2-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-5-chlorophenol
CID 136850138
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011333

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136809721) is 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cc(F)ccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is WLIWNCXLACMWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O2/c15-9-3-1-8(2-4-9)13-17-14(20-18-13)11-6-5-10(16)7-12(11)19/h1-7,19H.
What are the key properties of 5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 274.23 g/mol, XLogP of 3.39, 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-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136809721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).