1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine

C22H24N4O2 — CID 15954160

IUPAC1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine
SMILESc1ccc(C(=NOCCc2nnc(N3CCCCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)25-27-17-14-20-23-24-22(28-20)26-15-8-3-9-16-26/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKeyUMNPDHOOSDIUPW-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.07
Rot. Bonds7

About 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine

1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine (PubChem CID 15954160) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine
PubChem CID15954160
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine
SMILESc1ccc(C(=NOCCc2nnc(N3CCCCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C22H24N4O2/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)25-27-17-14-20-23-24-22(28-20)26-15-8-3-9-16-26/h1-2,4-7,10-13H,3,8-9,14-17H2
InChIKeyUMNPDHOOSDIUPW-UHFFFAOYSA-N
XLogP4.07
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine?
The IUPAC name of 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine (CID 15954160) is 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine.
What is the SMILES notation for 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine?
The canonical SMILES for 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine is c1ccc(C(=NOCCc2nnc(N3CCCCC3)o2)c2ccccc2)cc1.
What is the InChIKey of 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine?
The InChIKey is UMNPDHOOSDIUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-4-10-18(11-5-1)21(19-12-6-2-7-13-19)25-27-17-14-20-23-24-22(28-20)26-15-8-3-9-16-26/h1-2,4-7,10-13H,3,8-9,14-17H2.
What are the key properties of 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine?
1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine has a molecular weight of 376.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]methanimine is sourced from PubChem (CID 15954160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).