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

C15H12FN3O — CID 43443181

IUPAC3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccccc1-c1noc(-c2c(N)cccc2F)n1
InChIInChI=1S/C15H12FN3O/c1-9-5-2-3-6-10(9)14-18-15(20-19-14)13-11(16)7-4-8-12(13)17/h2-8H,17H2,1H3
InChIKeyGGOVHZSZYFVACF-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.43
Rot. Bonds2

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

3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (PubChem CID 43443181) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.

Molecular Properties

Compound Name3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
PubChem CID43443181
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
SMILESCc1ccccc1-c1noc(-c2c(N)cccc2F)n1
InChIInChI=1S/C15H12FN3O/c1-9-5-2-3-6-10(9)14-18-15(20-19-14)13-11(16)7-4-8-12(13)17/h2-8H,17H2,1H3
InChIKeyGGOVHZSZYFVACF-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

4,5-difluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 62865373
2-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 62661065
3-methyl-2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114876623
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 107915089
3-methyl-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2-thiazol-5-amine
CID 79390914
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742918
2-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
3-fluoro-2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115529377
2,4-dichloro-6-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43331560
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372862
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 62786736
4-[5-(2-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 80717873

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The IUPAC name of 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline (CID 43443181) is 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline.
What is the SMILES notation for 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The canonical SMILES for 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is Cc1ccccc1-c1noc(-c2c(N)cccc2F)n1.
What is the InChIKey of 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
The InChIKey is GGOVHZSZYFVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-9-5-2-3-6-10(9)14-18-15(20-19-14)13-11(16)7-4-8-12(13)17/h2-8H,17H2,1H3.
What are the key properties of 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline?
3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline 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 3-fluoro-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]aniline is sourced from PubChem (CID 43443181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).