4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol

C20H12F2N2O2 — CID 172890403

IUPAC4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H12F2N2O2/c21-14-7-8-15(17(22)11-14)13-6-9-18(25)16(10-13)20-24-23-19(26-20)12-4-2-1-3-5-12/h1-11,25H
InChIKeyDGWGMBYCRRXIOI-UHFFFAOYSA-N
MW350.32 g/mol
LogP5.05
Rot. Bonds3

About 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol

4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 172890403) has the molecular formula C20H12F2N2O2 and a molecular weight of 350.32 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
PubChem CID172890403
Molecular FormulaC20H12F2N2O2
Molecular Weight350.32 g/mol
Exact Mass350.09
IUPAC Name4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H12F2N2O2/c21-14-7-8-15(17(22)11-14)13-6-9-18(25)16(10-13)20-24-23-19(26-20)12-4-2-1-3-5-12/h1-11,25H
InChIKeyDGWGMBYCRRXIOI-UHFFFAOYSA-N
XLogP5.05
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.32
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol (CID 172890403) is 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol is Oc1ccc(-c2ccc(F)cc2F)cc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is DGWGMBYCRRXIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F2N2O2/c21-14-7-8-15(17(22)11-14)13-6-9-18(25)16(10-13)20-24-23-19(26-20)12-4-2-1-3-5-12/h1-11,25H.
What are the key properties of 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol?
4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 350.32 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 172890403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).