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

C20H13FN2O3 — CID 25254808

IUPAC4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol
SMILESOc1ccc(Oc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1
InChIInChI=1S/C20H13FN2O3/c21-15-5-1-14(2-6-15)20-22-19(23-26-20)13-3-9-17(10-4-13)25-18-11-7-16(24)8-12-18/h1-12,24H
InChIKeyVCTIBYODOMRSES-UHFFFAOYSA-N
MW348.33 g/mol
LogP5.04
Rot. Bonds4

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

4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol (PubChem CID 25254808) has the molecular formula C20H13FN2O3 and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol.

Molecular Properties

Compound Name4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol
PubChem CID25254808
Molecular FormulaC20H13FN2O3
Molecular Weight348.33 g/mol
Exact Mass348.09
IUPAC Name4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol
SMILESOc1ccc(Oc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1
InChIInChI=1S/C20H13FN2O3/c21-15-5-1-14(2-6-15)20-22-19(23-26-20)13-3-9-17(10-4-13)25-18-11-7-16(24)8-12-18/h1-12,24H
InChIKeyVCTIBYODOMRSES-UHFFFAOYSA-N
XLogP5.04
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.33
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol?
The IUPAC name of 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol (CID 25254808) is 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol.
What is the SMILES notation for 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol?
The canonical SMILES for 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol is Oc1ccc(Oc2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)cc1.
What is the InChIKey of 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol?
The InChIKey is VCTIBYODOMRSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O3/c21-15-5-1-14(2-6-15)20-22-19(23-26-20)13-3-9-17(10-4-13)25-18-11-7-16(24)8-12-18/h1-12,24H.
What are the key properties of 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol?
4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol has a molecular weight of 348.33 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenol is sourced from PubChem (CID 25254808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).