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

C21H22N4O — CID 11725183

IUPAC2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C21H22N4O/c22-11-10-17-14-23-19-8-6-16(12-18(17)19)7-9-21-24-20(25-26-21)13-15-4-2-1-3-5-15/h1-6,8,12,14,23H,7,9-11,13,22H2
InChIKeySCFZGOGBRPRNPV-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.43
Rot. Bonds7

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

2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine (PubChem CID 11725183) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine
PubChem CID11725183
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C21H22N4O/c22-11-10-17-14-23-19-8-6-16(12-18(17)19)7-9-21-24-20(25-26-21)13-15-4-2-1-3-5-15/h1-6,8,12,14,23H,7,9-11,13,22H2
InChIKeySCFZGOGBRPRNPV-UHFFFAOYSA-N
XLogP3.43
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine (CID 11725183) is 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(CCc3nc(Cc4ccccc4)no3)cc12.
What is the InChIKey of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine?
The InChIKey is SCFZGOGBRPRNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c22-11-10-17-14-23-19-8-6-16(12-18(17)19)7-9-21-24-20(25-26-21)13-15-4-2-1-3-5-15/h1-6,8,12,14,23H,7,9-11,13,22H2.
What are the key properties of 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine?
2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine has a molecular weight of 346.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 11725183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).