4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline

C14H9F2N3O — CID 43514752

IUPAC4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(F)cc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H9F2N3O/c15-9-3-1-8(2-4-9)13-18-14(20-19-13)11-7-10(16)5-6-12(11)17/h1-7H,17H2
InChIKeyNZJWDHUFCNUYNA-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.26
Rot. Bonds2

About 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline

4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 43514752) has the molecular formula C14H9F2N3O and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID43514752
Molecular FormulaC14H9F2N3O
Molecular Weight273.24 g/mol
Exact Mass273.07
IUPAC Name4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESNc1ccc(F)cc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C14H9F2N3O/c15-9-3-1-8(2-4-9)13-18-14(20-19-13)11-7-10(16)5-6-12(11)17/h1-7H,17H2
InChIKeyNZJWDHUFCNUYNA-UHFFFAOYSA-N
XLogP3.26
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-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

Related Compounds

2-[3-(2,6-dimethyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107501948
2-[3-(2-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 107923647
4-fluoro-2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62716460
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
4-fluoro-2-[3-(4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011326
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058185
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43514715
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710
4-fluoro-2-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65421875
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 63890195
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 43514752) is 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is Nc1ccc(F)cc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is NZJWDHUFCNUYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O/c15-9-3-1-8(2-4-9)13-18-14(20-19-13)11-7-10(16)5-6-12(11)17/h1-7H,17H2.
What are the key properties of 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline?
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 273.24 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 43514752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).