N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine

C13H14N4O — CID 102916629

IUPACN-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
SMILESCNCc1ccc2ccn(Cc3ncon3)c2c1
InChIInChI=1S/C13H14N4O/c1-14-7-10-2-3-11-4-5-17(12(11)6-10)8-13-15-9-18-16-13/h2-6,9,14H,7-8H2,1H3
InChIKeyAEXHJISQXNGXKL-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.79
Rot. Bonds4

About N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine

N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine (PubChem CID 102916629) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
PubChem CID102916629
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC NameN-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine
SMILESCNCc1ccc2ccn(Cc3ncon3)c2c1
InChIInChI=1S/C13H14N4O/c1-14-7-10-2-3-11-4-5-17(12(11)6-10)8-13-15-9-18-16-13/h2-6,9,14H,7-8H2,1H3
InChIKeyAEXHJISQXNGXKL-UHFFFAOYSA-N
XLogP1.79
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine (CID 102916629) is N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine is CNCc1ccc2ccn(Cc3ncon3)c2c1.
What is the InChIKey of N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine?
The InChIKey is AEXHJISQXNGXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-14-7-10-2-3-11-4-5-17(12(11)6-10)8-13-15-9-18-16-13/h2-6,9,14H,7-8H2,1H3.
What are the key properties of N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine?
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine has a molecular weight of 242.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)indol-6-yl]methanamine is sourced from PubChem (CID 102916629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).