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

C15H11F2N3O — CID 60836750

IUPAC2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccc(-c2noc(-c3ccc(F)c(N)c3)n2)cc1F
InChIInChI=1S/C15H11F2N3O/c1-8-2-3-9(6-12(8)17)14-19-15(21-20-14)10-4-5-11(16)13(18)7-10/h2-7H,18H2,1H3
InChIKeyPEJGGOIJXMSYHA-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.57
Rot. Bonds2

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

2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 60836750) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID60836750
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccc(-c2noc(-c3ccc(F)c(N)c3)n2)cc1F
InChIInChI=1S/C15H11F2N3O/c1-8-2-3-9(6-12(8)17)14-19-15(21-20-14)10-4-5-11(16)13(18)7-10/h2-7H,18H2,1H3
InChIKeyPEJGGOIJXMSYHA-UHFFFAOYSA-N
XLogP3.57
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.57
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-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 28534056
5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 82788331
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
4-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 107916360
5-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 66423613
5-[3-(4-bromo-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 103083299
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1,2-thiazol-5-amine
CID 79391660
2-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813381
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 43514837
3-chloro-5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 112572130
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 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 60836750) is 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is Cc1ccc(-c2noc(-c3ccc(F)c(N)c3)n2)cc1F.
What is the InChIKey of 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is PEJGGOIJXMSYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-8-2-3-9(6-12(8)17)14-19-15(21-20-14)10-4-5-11(16)13(18)7-10/h2-7H,18H2,1H3.
What are the key properties of 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 287.27 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 60836750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).