5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine

C19H25N5O2 — CID 135879430

IUPAC5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc2[nH]cc(-c3nnc(NCCCN4CCCCC4)o3)c2c1
InChIInChI=1S/C19H25N5O2/c1-25-14-6-7-17-15(12-14)16(13-21-17)18-22-23-19(26-18)20-8-5-11-24-9-3-2-4-10-24/h6-7,12-13,21H,2-5,8-11H2,1H3,(H,20,23)
InChIKeyMKOGSNGXBRNLNY-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.51
Rot. Bonds7

About 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine

5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 135879430) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID135879430
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESCOc1ccc2[nH]cc(-c3nnc(NCCCN4CCCCC4)o3)c2c1
InChIInChI=1S/C19H25N5O2/c1-25-14-6-7-17-15(12-14)16(13-21-17)18-22-23-19(26-18)20-8-5-11-24-9-3-2-4-10-24/h6-7,12-13,21H,2-5,8-11H2,1H3,(H,20,23)
InChIKeyMKOGSNGXBRNLNY-UHFFFAOYSA-N
XLogP3.51
TPSA79.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine (CID 135879430) is 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine is COc1ccc2[nH]cc(-c3nnc(NCCCN4CCCCC4)o3)c2c1.
What is the InChIKey of 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is MKOGSNGXBRNLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-25-14-6-7-17-15(12-14)16(13-21-17)18-22-23-19(26-18)20-8-5-11-24-9-3-2-4-10-24/h6-7,12-13,21H,2-5,8-11H2,1H3,(H,20,23).
What are the key properties of 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 355.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1H-indol-3-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 135879430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).