2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline

C8H5F2N3O — CID 107122454

IUPAC2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cc(F)cc(-c2nnco2)c1F
InChIInChI=1S/C8H5F2N3O/c9-4-1-5(7(10)6(11)2-4)8-13-12-3-14-8/h1-3H,11H2
InChIKeyPAYFGAQJYWCROL-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.60
Rot. Bonds1

About 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline

2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 107122454) has the molecular formula C8H5F2N3O and a molecular weight of 197.14 g/mol. Its IUPAC name is 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound Name2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID107122454
Molecular FormulaC8H5F2N3O
Molecular Weight197.14 g/mol
Exact Mass197.04
IUPAC Name2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline
SMILESNc1cc(F)cc(-c2nnco2)c1F
InChIInChI=1S/C8H5F2N3O/c9-4-1-5(7(10)6(11)2-4)8-13-12-3-14-8/h1-3H,11H2
InChIKeyPAYFGAQJYWCROL-UHFFFAOYSA-N
XLogP1.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline 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 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline (CID 107122454) is 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline is Nc1cc(F)cc(-c2nnco2)c1F.
What is the InChIKey of 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is PAYFGAQJYWCROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O/c9-4-1-5(7(10)6(11)2-4)8-13-12-3-14-8/h1-3H,11H2.
What are the key properties of 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline?
2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 197.14 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 107122454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).