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

C16H20N4O — CID 102915939

IUPACN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(ccn2Cc2nc(CC)no2)c1
InChIInChI=1S/C16H20N4O/c1-3-15-18-16(21-19-15)11-20-8-7-13-9-12(10-17-4-2)5-6-14(13)20/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyDJUJXPXVYFNILJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.74
Rot. Bonds6

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

N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine (PubChem CID 102915939) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
PubChem CID102915939
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2c(ccn2Cc2nc(CC)no2)c1
InChIInChI=1S/C16H20N4O/c1-3-15-18-16(21-19-15)11-20-8-7-13-9-12(10-17-4-2)5-6-14(13)20/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyDJUJXPXVYFNILJ-UHFFFAOYSA-N
XLogP2.74
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine (CID 102915939) is N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine is CCNCc1ccc2c(ccn2Cc2nc(CC)no2)c1.
What is the InChIKey of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine?
The InChIKey is DJUJXPXVYFNILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-15-18-16(21-19-15)11-20-8-7-13-9-12(10-17-4-2)5-6-14(13)20/h5-9,17H,3-4,10-11H2,1-2H3.
What are the key properties of N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine?
N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]indol-5-yl]methyl]ethanamine is sourced from PubChem (CID 102915939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).