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

C14H16N4O — CID 10332637

IUPAC2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESCCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C14H16N4O/c1-2-13-17-14(19-18-13)9-3-4-12-11(7-9)10(5-6-15)8-16-12/h3-4,7-8,16H,2,5-6,15H2,1H3
InChIKeyRGZGVSMFNKBYQY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.28
Rot. Bonds4

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

2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (PubChem CID 10332637) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
PubChem CID10332637
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESCCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1
InChIInChI=1S/C14H16N4O/c1-2-13-17-14(19-18-13)9-3-4-12-11(7-9)10(5-6-15)8-16-12/h3-4,7-8,16H,2,5-6,15H2,1H3
InChIKeyRGZGVSMFNKBYQY-UHFFFAOYSA-N
XLogP2.28
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (CID 10332637) is 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is CCc1noc(-c2ccc3[nH]cc(CCN)c3c2)n1.
What is the InChIKey of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is RGZGVSMFNKBYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-13-17-14(19-18-13)9-3-4-12-11(7-9)10(5-6-15)8-16-12/h3-4,7-8,16H,2,5-6,15H2,1H3.
What are the key properties of 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 10332637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).