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

C14H9FN2O2 — CID 3914603

IUPAC4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C14H9FN2O2/c15-11-5-1-10(2-6-11)14-16-13(17-19-14)9-3-7-12(18)8-4-9/h1-8,18H
InChIKeyGEZIAJQDYDMAFY-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.25
Rot. Bonds2

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

4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 3914603) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
PubChem CID3914603
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol
SMILESOc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C14H9FN2O2/c15-11-5-1-10(2-6-11)14-16-13(17-19-14)9-3-7-12(18)8-4-9/h1-8,18H
InChIKeyGEZIAJQDYDMAFY-UHFFFAOYSA-N
XLogP3.25
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol (CID 3914603) is 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is Oc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is GEZIAJQDYDMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-11-5-1-10(2-6-11)14-16-13(17-19-14)9-3-7-12(18)8-4-9/h1-8,18H.
What are the key properties of 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol?
4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 256.24 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 3914603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).