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

C19H26N4O — CID 119044757

IUPACN-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccc2[nH]ccc2c1)Cc1nc(CCC(C)C)no1
InChIInChI=1S/C19H26N4O/c1-4-23(12-15-6-7-17-16(11-15)9-10-20-17)13-19-21-18(22-24-19)8-5-14(2)3/h6-7,9-11,14,20H,4-5,8,12-13H2,1-3H3
InChIKeyLDJKVZJTUSKSEY-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.16
Rot. Bonds8

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

N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (PubChem CID 119044757) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
PubChem CID119044757
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
SMILESCCN(Cc1ccc2[nH]ccc2c1)Cc1nc(CCC(C)C)no1
InChIInChI=1S/C19H26N4O/c1-4-23(12-15-6-7-17-16(11-15)9-10-20-17)13-19-21-18(22-24-19)8-5-14(2)3/h6-7,9-11,14,20H,4-5,8,12-13H2,1-3H3
InChIKeyLDJKVZJTUSKSEY-UHFFFAOYSA-N
XLogP4.16
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine (CID 119044757) is N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is CCN(Cc1ccc2[nH]ccc2c1)Cc1nc(CCC(C)C)no1.
What is the InChIKey of N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
The InChIKey is LDJKVZJTUSKSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-4-23(12-15-6-7-17-16(11-15)9-10-20-17)13-19-21-18(22-24-19)8-5-14(2)3/h6-7,9-11,14,20H,4-5,8,12-13H2,1-3H3.
What are the key properties of N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine?
N-(1H-indol-5-ylmethyl)-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine has a molecular weight of 326.44 g/mol, XLogP of 4.16, 8 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-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 119044757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).