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

C20H20N4O2 — CID 10247152

IUPAC2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
SMILESCOc1cccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-25-16-4-2-3-13(9-16)10-19-23-20(26-24-19)14-5-6-18-17(11-14)15(7-8-21)12-22-18/h2-6,9,11-12,22H,7-8,10,21H2,1H3
InChIKeyXYSVDZDGDYOEQP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.32
Rot. Bonds6

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

2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine (PubChem CID 10247152) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
PubChem CID10247152
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine
SMILESCOc1cccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)c1
InChIInChI=1S/C20H20N4O2/c1-25-16-4-2-3-13(9-16)10-19-23-20(26-24-19)14-5-6-18-17(11-14)15(7-8-21)12-22-18/h2-6,9,11-12,22H,7-8,10,21H2,1H3
InChIKeyXYSVDZDGDYOEQP-UHFFFAOYSA-N
XLogP3.32
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine (CID 10247152) is 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine is COc1cccc(Cc2noc(-c3ccc4[nH]cc(CCN)c4c3)n2)c1.
What is the InChIKey of 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
The InChIKey is XYSVDZDGDYOEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-25-16-4-2-3-13(9-16)10-19-23-20(26-24-19)14-5-6-18-17(11-14)15(7-8-21)12-22-18/h2-6,9,11-12,22H,7-8,10,21H2,1H3.
What are the key properties of 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine?
2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine has a molecular weight of 348.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10247152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).