3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole

C14H10F2N2O — CID 117062593

IUPAC3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESFc1cccc(F)c1C1=NC(c2ccccc2)ON1
InChIInChI=1S/C14H10F2N2O/c15-10-7-4-8-11(16)12(10)13-17-14(19-18-13)9-5-2-1-3-6-9/h1-8,14H,(H,17,18)
InChIKeyPSNWRSCRJOFNCL-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.94
Rot. Bonds2

About 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole

3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 117062593) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole
PubChem CID117062593
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESFc1cccc(F)c1C1=NC(c2ccccc2)ON1
InChIInChI=1S/C14H10F2N2O/c15-10-7-4-8-11(16)12(10)13-17-14(19-18-13)9-5-2-1-3-6-9/h1-8,14H,(H,17,18)
InChIKeyPSNWRSCRJOFNCL-UHFFFAOYSA-N
XLogP2.94
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-Phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)benzonitrile
CID 4564672
5-(2-Bromophenyl)-3-phenyl-2,5-dihydro-1,2,4-oxadiazole
CID 4463708
5-(2,4-Difluorophenyl)-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 2998681
N'-hydroxy-N-phenylmethoxybenzenecarboximidamide
CID 135083152
3,5-Diphenyl-2,5-dihydro-1,2,4-oxadiazole
CID 85785376
3-Methyl-5-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 67488059
(2-Fluoro-benzyloxy)-benzylamine
CID 86761305
N'-[(2-fluorophenyl)-iodomethoxy]benzenecarboximidamide
CID 88887063
3-(2-Methylphenyl)-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 143910029
3-Phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 143910130
5-[3,5-Bis(trifluoromethyl)phenyl]-3-(2-methylphenyl)-2,5-dihydro-1,2,4-oxadiazole
CID 143910158
Ethane;3-phenyl-5-[3-phenyl-5-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-oxadiazole
CID 143910290

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole (CID 117062593) is 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole is Fc1cccc(F)c1C1=NC(c2ccccc2)ON1.
What is the InChIKey of 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is PSNWRSCRJOFNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-10-7-4-8-11(16)12(10)13-17-14(19-18-13)9-5-2-1-3-6-9/h1-8,14H,(H,17,18).
What are the key properties of 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 260.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-5-phenyl-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 117062593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).