N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C14H16N4O — CID 14810846

IUPACN-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C14H16N4O/c1-15-8-7-13-16-14(17-19-13)11-9-18(2)12-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyIKOYNKLYHKKYIX-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.99
Rot. Bonds4

About N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine

N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 14810846) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID14810846
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNCCc1nc(-c2cn(C)c3ccccc23)no1
InChIInChI=1S/C14H16N4O/c1-15-8-7-13-16-14(17-19-13)11-9-18(2)12-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3
InChIKeyIKOYNKLYHKKYIX-UHFFFAOYSA-N
XLogP1.99
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 14810846) is N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CNCCc1nc(-c2cn(C)c3ccccc23)no1.
What is the InChIKey of N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is IKOYNKLYHKKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-15-8-7-13-16-14(17-19-13)11-9-18(2)12-6-4-3-5-10(11)12/h3-6,9,15H,7-8H2,1-2H3.
What are the key properties of N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(1-methylindol-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 14810846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).