[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine

C11H9FN4O — CID 117335867

IUPAC[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cc3[nH]ccc3cc2F)no1
InChIInChI=1S/C11H9FN4O/c12-8-3-6-1-2-14-9(6)4-7(8)11-15-10(5-13)17-16-11/h1-4,14H,5,13H2
InChIKeyXUTDPNBKLGJISC-UHFFFAOYSA-N
MW232.22 g/mol
LogP1.82
Rot. Bonds2

About [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117335867) has the molecular formula C11H9FN4O and a molecular weight of 232.22 g/mol. Its IUPAC name is [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117335867
Molecular FormulaC11H9FN4O
Molecular Weight232.22 g/mol
Exact Mass232.08
IUPAC Name[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESNCc1nc(-c2cc3[nH]ccc3cc2F)no1
InChIInChI=1S/C11H9FN4O/c12-8-3-6-1-2-14-9(6)4-7(8)11-15-10(5-13)17-16-11/h1-4,14H,5,13H2
InChIKeyXUTDPNBKLGJISC-UHFFFAOYSA-N
XLogP1.82
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine with MolForge

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Related Compounds

[3-(2,5-difluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354397
[3-[5-(1,1-difluoroethyl)-2-fluorophenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117395718
[3-(5-bromo-2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117491798
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-2-methylbenzoic acid
CID 117380462
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117337404
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-bromo-6-fluorophenol
CID 136968319
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 71829645
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-difluorophenol
CID 136968527
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-fluorophenol
CID 137011460
2-(6-fluoro-1H-indol-5-yl)ethanamine
CID 82410055
[3-(2,3,4,5,6-pentafluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83403632

Frequently Asked Questions

What is the IUPAC name of [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117335867) is [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is NCc1nc(-c2cc3[nH]ccc3cc2F)no1.
What is the InChIKey of [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is XUTDPNBKLGJISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4O/c12-8-3-6-1-2-14-9(6)4-7(8)11-15-10(5-13)17-16-11/h1-4,14H,5,13H2.
What are the key properties of [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 232.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-fluoro-1H-indol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117335867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).