6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one

C12H12N4O2 — CID 117362341

IUPAC6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(-c3noc(CN)n3)cc21
InChIInChI=1S/C12H12N4O2/c1-16-9-4-8(3-2-7(9)5-11(16)17)12-14-10(6-13)18-15-12/h2-4H,5-6,13H2,1H3
InChIKeyWCCXTCRYJVLWGY-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.71
Rot. Bonds2

About 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one

6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one (PubChem CID 117362341) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
PubChem CID117362341
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2ccc(-c3noc(CN)n3)cc21
InChIInChI=1S/C12H12N4O2/c1-16-9-4-8(3-2-7(9)5-11(16)17)12-14-10(6-13)18-15-12/h2-4H,5-6,13H2,1H3
InChIKeyWCCXTCRYJVLWGY-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

4-[3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1-methylpiperazine-2,6-dione
CID 117485412
1-[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylpiperazine-2,5-dione
CID 117485419
[3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117360199
5-[5-(aminomethyl)-1,3,4-oxadiazol-2-yl]-1-methyl-3H-indol-2-one
CID 82478357
1-[4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylpiperazin-2-one
CID 117463582
[3-(2,2-dimethyl-3,4-dihydrochromen-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117401910
[3-(3-methyl-1,2-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117332233
[3-(1-methylbenzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117330229
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
[3-(1,3-dimethylindazol-5-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359748
[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359747

Frequently Asked Questions

What is the IUPAC name of 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one (CID 117362341) is 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2ccc(-c3noc(CN)n3)cc21.
What is the InChIKey of 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one?
The InChIKey is WCCXTCRYJVLWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-9-4-8(3-2-7(9)5-11(16)17)12-14-10(6-13)18-15-12/h2-4H,5-6,13H2,1H3.
What are the key properties of 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one?
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-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 6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 117362341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).