2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline

C15H12FN3O — CID 43514855

IUPAC2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
SMILESCc1cccc(-c2nc(-c3cccc(F)c3)no2)c1N
InChIInChI=1S/C15H12FN3O/c1-9-4-2-7-12(13(9)17)15-18-14(19-20-15)10-5-3-6-11(16)8-10/h2-8H,17H2,1H3
InChIKeyHAYUOKJAWKTGPT-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.43
Rot. Bonds2

About 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline

2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline (PubChem CID 43514855) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline.

Molecular Properties

Compound Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
PubChem CID43514855
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
SMILESCc1cccc(-c2nc(-c3cccc(F)c3)no2)c1N
InChIInChI=1S/C15H12FN3O/c1-9-4-2-7-12(13(9)17)15-18-14(19-20-15)10-5-3-6-11(16)8-10/h2-8H,17H2,1H3
InChIKeyHAYUOKJAWKTGPT-UHFFFAOYSA-N
XLogP3.43
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline 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-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 60930451
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 62945325
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
4-[5-(2-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 80717873
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81497947
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
3-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525304
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 43329987
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 42281998

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline?
The IUPAC name of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline (CID 43514855) is 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline.
What is the SMILES notation for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline?
The canonical SMILES for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline is Cc1cccc(-c2nc(-c3cccc(F)c3)no2)c1N.
What is the InChIKey of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline?
The InChIKey is HAYUOKJAWKTGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-4-2-7-12(13(9)17)15-18-14(19-20-15)10-5-3-6-11(16)8-10/h2-8H,17H2,1H3.
What are the key properties of 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline?
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline has a molecular weight of 269.28 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline is sourced from PubChem (CID 43514855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).