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

C9H8FN3O — CID 19962141

IUPAC5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(F)cc2N)n1
InChIInChI=1S/C9H8FN3O/c1-5-12-9(14-13-5)7-3-2-6(10)4-8(7)11/h2-4H,11H2,1H3
InChIKeyTTWPHVILFGSOIR-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.77
Rot. Bonds1

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

5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 19962141) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID19962141
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccc(F)cc2N)n1
InChIInChI=1S/C9H8FN3O/c1-5-12-9(14-13-5)7-3-2-6(10)4-8(7)11/h2-4H,11H2,1H3
InChIKeyTTWPHVILFGSOIR-UHFFFAOYSA-N
XLogP1.77
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 19962141) is 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccc(F)cc2N)n1.
What is the InChIKey of 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is TTWPHVILFGSOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c1-5-12-9(14-13-5)7-3-2-6(10)4-8(7)11/h2-4H,11H2,1H3.
What are the key properties of 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 193.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 19962141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).