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

C12H12N4O2 — CID 82478357

IUPAC5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3nnc(CN)o3)ccc21
InChIInChI=1S/C12H12N4O2/c1-16-9-3-2-7(4-8(9)5-11(16)17)12-15-14-10(6-13)18-12/h2-4H,5-6,13H2,1H3
InChIKeyAWAVGJSLCYJCSG-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.71
Rot. Bonds2

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

5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one (PubChem CID 82478357) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one
PubChem CID82478357
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(-c3nnc(CN)o3)ccc21
InChIInChI=1S/C12H12N4O2/c1-16-9-3-2-7(4-8(9)5-11(16)17)12-15-14-10(6-13)18-12/h2-4H,5-6,13H2,1H3
InChIKeyAWAVGJSLCYJCSG-UHFFFAOYSA-N
XLogP0.71
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)-1,3-oxazole-4-carboxylic acid
CID 82488432
[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 63742857
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
CID 117362341
5-(3-amino-1,2,4-triazin-5-yl)-1-methyl-3H-indol-2-one
CID 82387510
6-[2-(2-aminoethyl)-1,3-oxazol-5-yl]-1-methyl-3,4-dihydroquinolin-2-one
CID 95474315
5-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methyl-3H-indol-2-one
CID 116856852
5-[2-(hydroxymethyl)pyrimidin-4-yl]-1-methyl-3H-indol-2-one
CID 116899433
4-(1-methyl-2-oxo-3H-indol-5-yl)pyrimidine-2-carbonitrile
CID 116900839
5-(4-acetyl-1,2-oxazol-5-yl)-1-methyl-3H-indol-2-one
CID 82299502
5-(hydroxymethylamino)-1-methyl-3H-indol-2-one
CID 115228674
5-(5-bromo-4-methyl-1,3-thiazol-2-yl)-1-methyl-3H-indol-2-one
CID 116887881
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one (CID 82478357) is 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(-c3nnc(CN)o3)ccc21.
What is the InChIKey of 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one?
The InChIKey is AWAVGJSLCYJCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-9-3-2-7(4-8(9)5-11(16)17)12-15-14-10(6-13)18-12/h2-4H,5-6,13H2,1H3.
What are the key properties of 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one?
5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one has a molecular weight of 244.25 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 82478357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).