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

C15H16N4O — CID 11777810

IUPAC2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-c3nc(C4CC4)no3)cc12
InChIInChI=1S/C15H16N4O/c16-6-5-11-8-17-13-4-3-10(7-12(11)13)15-18-14(19-20-15)9-1-2-9/h3-4,7-9,17H,1-2,5-6,16H2
InChIKeyLSUAPUGYEULDQN-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.60
Rot. Bonds4

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

2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (PubChem CID 11777810) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
PubChem CID11777810
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
SMILESNCCc1c[nH]c2ccc(-c3nc(C4CC4)no3)cc12
InChIInChI=1S/C15H16N4O/c16-6-5-11-8-17-13-4-3-10(7-12(11)13)15-18-14(19-20-15)9-1-2-9/h3-4,7-9,17H,1-2,5-6,16H2
InChIKeyLSUAPUGYEULDQN-UHFFFAOYSA-N
XLogP2.60
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The IUPAC name of 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine (CID 11777810) is 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is NCCc1c[nH]c2ccc(-c3nc(C4CC4)no3)cc12.
What is the InChIKey of 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
The InChIKey is LSUAPUGYEULDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-6-5-11-8-17-13-4-3-10(7-12(11)13)15-18-14(19-20-15)9-1-2-9/h3-4,7-9,17H,1-2,5-6,16H2.
What are the key properties of 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine?
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine has a molecular weight of 268.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine is sourced from PubChem (CID 11777810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).