[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine

C11H8FN3O2 — CID 117337404

IUPAC[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cc(F)cc3ccoc23)no1
InChIInChI=1S/C11H8FN3O2/c12-7-3-6-1-2-16-10(6)8(4-7)11-14-9(5-13)17-15-11/h1-4H,5,13H2
InChIKeyGHTNKIYNOWOPFH-UHFFFAOYSA-N
MW233.20 g/mol
LogP2.08
Rot. Bonds2

About [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117337404) has the molecular formula C11H8FN3O2 and a molecular weight of 233.20 g/mol. Its IUPAC name is [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117337404
Molecular FormulaC11H8FN3O2
Molecular Weight233.20 g/mol
Exact Mass233.06
IUPAC Name[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cc(F)cc3ccoc23)no1
InChIInChI=1S/C11H8FN3O2/c12-7-3-6-1-2-16-10(6)8(4-7)11-14-9(5-13)17-15-11/h1-4H,5,13H2
InChIKeyGHTNKIYNOWOPFH-UHFFFAOYSA-N
XLogP2.08
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(5,7-difluoro-1-benzofuran-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117380348
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3,5-difluorophenol
CID 136968528
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-difluorophenol
CID 136968527
5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117308914
2-(5-fluoro-1-benzofuran-7-yl)ethanamine
CID 22144824
[3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83403632
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol
CID 136952313
[3-(5-bromo-2-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117483211
[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117335867
[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117395718
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-fluoro-3-methoxyphenol
CID 137017239
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117337404) is [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2cc(F)cc3ccoc23)no1.
What is the InChIKey of [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is GHTNKIYNOWOPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O2/c12-7-3-6-1-2-16-10(6)8(4-7)11-14-9(5-13)17-15-11/h1-4H,5,13H2.
What are the key properties of [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 233.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117337404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).