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

C18H23N5O — CID 135879429

IUPAC5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc2[nH]c(-c3nnc(NCCCN4CCCCC4)o3)cc2c1
InChIInChI=1S/C18H23N5O/c1-4-10-23(11-5-1)12-6-9-19-18-22-21-17(24-18)16-13-14-7-2-3-8-15(14)20-16/h2-3,7-8,13,20H,1,4-6,9-12H2,(H,19,22)
InChIKeyLTHZPSMOSSCFDI-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.51
Rot. Bonds6

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

5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine (PubChem CID 135879429) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
PubChem CID135879429
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine
SMILESc1ccc2[nH]c(-c3nnc(NCCCN4CCCCC4)o3)cc2c1
InChIInChI=1S/C18H23N5O/c1-4-10-23(11-5-1)12-6-9-19-18-22-21-17(24-18)16-13-14-7-2-3-8-15(14)20-16/h2-3,7-8,13,20H,1,4-6,9-12H2,(H,19,22)
InChIKeyLTHZPSMOSSCFDI-UHFFFAOYSA-N
XLogP3.51
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine (CID 135879429) is 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine is c1ccc2[nH]c(-c3nnc(NCCCN4CCCCC4)o3)cc2c1.
What is the InChIKey of 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is LTHZPSMOSSCFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-4-10-23(11-5-1)12-6-9-19-18-22-21-17(24-18)16-13-14-7-2-3-8-15(14)20-16/h2-3,7-8,13,20H,1,4-6,9-12H2,(H,19,22).
What are the key properties of 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine?
5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 325.42 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-N-(3-piperidin-1-ylpropyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 135879429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).