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

C14H9FN2O2 — CID 671980

IUPAC2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C14H9FN2O2/c15-10-5-3-4-9(8-10)13-16-17-14(19-13)11-6-1-2-7-12(11)18/h1-8,18H
InChIKeyWXYKUEJWMHFDEQ-UHFFFAOYSA-N
MW256.24 g/mol
LogP3.25
Rot. Bonds2

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

2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 671980) has the molecular formula C14H9FN2O2 and a molecular weight of 256.24 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID671980
Molecular FormulaC14H9FN2O2
Molecular Weight256.24 g/mol
Exact Mass256.06
IUPAC Name2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(-c2cccc(F)c2)o1
InChIInChI=1S/C14H9FN2O2/c15-10-5-3-4-9(8-10)13-16-17-14(19-13)11-6-1-2-7-12(11)18/h1-8,18H
InChIKeyWXYKUEJWMHFDEQ-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 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol (CID 671980) is 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccccc1-c1nnc(-c2cccc(F)c2)o1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is WXYKUEJWMHFDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2/c15-10-5-3-4-9(8-10)13-16-17-14(19-13)11-6-1-2-7-12(11)18/h1-8,18H.
What are the key properties of 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol?
2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-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 2-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 671980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).