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

C22H24N4O — CID 10067088

IUPAC2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C22H24N4O/c23-12-11-18-15-24-20-10-9-17(13-19(18)20)7-4-8-22-25-21(26-27-22)14-16-5-2-1-3-6-16/h1-3,5-6,9-10,13,15,24H,4,7-8,11-12,14,23H2
InChIKeyJTBDYCCVUAQYMO-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.82
Rot. Bonds8

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

2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine (PubChem CID 10067088) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
PubChem CID10067088
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12
InChIInChI=1S/C22H24N4O/c23-12-11-18-15-24-20-10-9-17(13-19(18)20)7-4-8-22-25-21(26-27-22)14-16-5-2-1-3-6-16/h1-3,5-6,9-10,13,15,24H,4,7-8,11-12,14,23H2
InChIKeyJTBDYCCVUAQYMO-UHFFFAOYSA-N
XLogP3.82
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.82
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-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine (CID 10067088) is 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12.
What is the InChIKey of 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
The InChIKey is JTBDYCCVUAQYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c23-12-11-18-15-24-20-10-9-17(13-19(18)20)7-4-8-22-25-21(26-27-22)14-16-5-2-1-3-6-16/h1-3,5-6,9-10,13,15,24H,4,7-8,11-12,14,23H2.
What are the key properties of 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine?
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine has a molecular weight of 360.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10067088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).