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

C15H12FN3O — CID 43514837

IUPAC4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nc(-c3cccc(F)c3)no2)ccc1N
InChIInChI=1S/C15H12FN3O/c1-9-7-11(5-6-13(9)17)15-18-14(19-20-15)10-3-2-4-12(16)8-10/h2-8H,17H2,1H3
InChIKeyJLWADKPAGBPVLY-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.43
Rot. Bonds2

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

4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (PubChem CID 43514837) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
PubChem CID43514837
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nc(-c3cccc(F)c3)no2)ccc1N
InChIInChI=1S/C15H12FN3O/c1-9-7-11(5-6-13(9)17)15-18-14(19-20-15)10-3-2-4-12(16)8-10/h2-8H,17H2,1H3
InChIKeyJLWADKPAGBPVLY-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'}

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Related Compounds

2-methyl-4-(5-phenyl-1,2,4-oxadiazol-3-yl)aniline
CID 86257239
2-amino-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 60836256
5-(3-fluorophenyl)-3-(6-methylnaphthalen-2-yl)-1,2,4-oxadiazole
CID 160804234
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
2-methyl-4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 106847232
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-6-methylaniline
CID 43514855
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 107916360
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 60836750
2-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylaniline
CID 107916362
2-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63187710

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline (CID 43514837) is 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is Cc1cc(-c2nc(-c3cccc(F)c3)no2)ccc1N.
What is the InChIKey of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
The InChIKey is JLWADKPAGBPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-7-11(5-6-13(9)17)15-18-14(19-20-15)10-3-2-4-12(16)8-10/h2-8H,17H2,1H3.
What are the key properties of 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline?
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-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 4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline is sourced from PubChem (CID 43514837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).