[3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

C12H11FN4O — CID 82384643

IUPAC[3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2c[nH]c3cccc(F)c23)no1
InChIInChI=1S/C12H11FN4O/c13-8-2-1-3-9-12(8)7(6-15-9)4-10-16-11(5-14)18-17-10/h1-3,6,15H,4-5,14H2
InChIKeyTYNGREIKBXFUTL-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.74
Rot. Bonds3

About [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine

[3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 82384643) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID82384643
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name[3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(Cc2c[nH]c3cccc(F)c23)no1
InChIInChI=1S/C12H11FN4O/c13-8-2-1-3-9-12(8)7(6-15-9)4-10-16-11(5-14)18-17-10/h1-3,6,15H,4-5,14H2
InChIKeyTYNGREIKBXFUTL-UHFFFAOYSA-N
XLogP1.74
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 82384643) is [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(Cc2c[nH]c3cccc(F)c23)no1.
What is the InChIKey of [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is TYNGREIKBXFUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-8-2-1-3-9-12(8)7(6-15-9)4-10-16-11(5-14)18-17-10/h1-3,6,15H,4-5,14H2.
What are the key properties of [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine?
[3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 246.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluoro-1H-indol-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 82384643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).