3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline

C13H10FN5O2 — CID 103372862

IUPAC3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(-c2noc(-c3c(N)cccc3F)n2)nn1
InChIInChI=1S/C13H10FN5O2/c1-20-10-6-5-9(17-18-10)12-16-13(21-19-12)11-7(14)3-2-4-8(11)15/h2-6H,15H2,1H3
InChIKeyYKTDGIIMJPBIEO-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.92
Rot. Bonds3

About 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline

3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 103372862) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID103372862
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC Name3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCOc1ccc(-c2noc(-c3c(N)cccc3F)n2)nn1
InChIInChI=1S/C13H10FN5O2/c1-20-10-6-5-9(17-18-10)12-16-13(21-19-12)11-7(14)3-2-4-8(11)15/h2-6H,15H2,1H3
InChIKeyYKTDGIIMJPBIEO-UHFFFAOYSA-N
XLogP1.92
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813576
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
5-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372807
3-fluoro-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795650
3-fluoro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115529377
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 103375357
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43443181
5-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372756
2-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 116703317
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 103442788
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline (CID 103372862) is 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline is COc1ccc(-c2noc(-c3c(N)cccc3F)n2)nn1.
What is the InChIKey of 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is YKTDGIIMJPBIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2/c1-20-10-6-5-9(17-18-10)12-16-13(21-19-12)11-7(14)3-2-4-8(11)15/h2-6H,15H2,1H3.
What are the key properties of 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline?
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline has a molecular weight of 287.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 103372862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).