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

C16H20N4O — CID 10107953

IUPAC2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
SMILESCc1noc(CCCc2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C16H20N4O/c1-11-19-16(21-20-11)4-2-3-12-5-6-15-14(9-12)13(7-8-17)10-18-15/h5-6,9-10,18H,2-4,7-8,17H2,1H3
InChIKeyFZVHHUSZLLUIQC-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds6

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

2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine (PubChem CID 10107953) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
PubChem CID10107953
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
SMILESCc1noc(CCCc2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C16H20N4O/c1-11-19-16(21-20-11)4-2-3-12-5-6-15-14(9-12)13(7-8-17)10-18-15/h5-6,9-10,18H,2-4,7-8,17H2,1H3
InChIKeyFZVHHUSZLLUIQC-UHFFFAOYSA-N
XLogP2.54
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine (CID 10107953) is 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine is Cc1noc(CCCc2ccc3[nH]cc(CCN)c3c2)n1.
What is the InChIKey of 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
The InChIKey is FZVHHUSZLLUIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-19-16(21-20-11)4-2-3-12-5-6-15-14(9-12)13(7-8-17)10-18-15/h5-6,9-10,18H,2-4,7-8,17H2,1H3.
What are the key properties of 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine has a molecular weight of 284.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10107953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).