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

C15H9F2N3O2 — CID 110391030

IUPACN-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H9F2N3O2/c16-10-7-4-8-11(17)12(10)18-13(21)15-20-19-14(22-15)9-5-2-1-3-6-9/h1-8H,(H,18,21)
InChIKeyPLOGRGMKQUOROA-UHFFFAOYSA-N
MW301.25 g/mol
LogP3.27
Rot. Bonds3

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

N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391030) has the molecular formula C15H9F2N3O2 and a molecular weight of 301.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391030
Molecular FormulaC15H9F2N3O2
Molecular Weight301.25 g/mol
Exact Mass301.07
IUPAC NameN-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(Nc1c(F)cccc1F)c1nnc(-c2ccccc2)o1
InChIInChI=1S/C15H9F2N3O2/c16-10-7-4-8-11(17)12(10)18-13(21)15-20-19-14(22-15)9-5-2-1-3-6-9/h1-8H,(H,18,21)
InChIKeyPLOGRGMKQUOROA-UHFFFAOYSA-N
XLogP3.27
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide 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

5-(3-fluorophenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110392496
N-(2,6-difluorophenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 110392971
5-benzyl-N-(2,6-difluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110393360
N-(2-methylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390932
5-(4-methylphenyl)-N-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391121
N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110391027
N-(3,4-dimethylphenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 110390940
N-benzyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431714
N-cyclopropyl-5-phenyl-1,3,4-oxadiazole-2-carboxamide
CID 22431746
5-(3-fluorophenyl)-N-(2-methylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392497
N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 99817536
5-(3-fluorophenyl)-N-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392448

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide (CID 110391030) is N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is O=C(Nc1c(F)cccc1F)c1nnc(-c2ccccc2)o1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is PLOGRGMKQUOROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N3O2/c16-10-7-4-8-11(17)12(10)18-13(21)15-20-19-14(22-15)9-5-2-1-3-6-9/h1-8H,(H,18,21).
What are the key properties of N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide?
N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 301.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).