N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

C18H24N4O — CID 119044837

IUPACN-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccc2[nH]ccc2c1)Cc1nc(CC(C)C)no1
InChIInChI=1S/C18H24N4O/c1-4-22(12-18-20-17(21-23-18)9-13(2)3)11-14-5-6-16-15(10-14)7-8-19-16/h5-8,10,13,19H,4,9,11-12H2,1-3H3
InChIKeyOTYLHUWMVBQJRL-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.77
Rot. Bonds7

About N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine

N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 119044837) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID119044837
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccc2[nH]ccc2c1)Cc1nc(CC(C)C)no1
InChIInChI=1S/C18H24N4O/c1-4-22(12-18-20-17(21-23-18)9-13(2)3)11-14-5-6-16-15(10-14)7-8-19-16/h5-8,10,13,19H,4,9,11-12H2,1-3H3
InChIKeyOTYLHUWMVBQJRL-UHFFFAOYSA-N
XLogP3.77
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 119044837) is N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCN(Cc1ccc2[nH]ccc2c1)Cc1nc(CC(C)C)no1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is OTYLHUWMVBQJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(12-18-20-17(21-23-18)9-13(2)3)11-14-5-6-16-15(10-14)7-8-19-16/h5-8,10,13,19H,4,9,11-12H2,1-3H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 312.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-ylmethyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 119044837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).