(E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine

C17H22N4O2 — CID 15954161

IUPAC(E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine
SMILESC/C(=N\OCCc1nnc(N2CCCCC2)o1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-14(15-8-4-2-5-9-15)20-22-13-10-16-18-19-17(23-16)21-11-6-3-7-12-21/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b20-14+
InChIKeyNYUOSTIZXFBWCQ-XSFVSMFZSA-N
MW314.39 g/mol
LogP3.04
Rot. Bonds6

About (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine

(E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine (PubChem CID 15954161) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine
PubChem CID15954161
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine
SMILESC/C(=N\OCCc1nnc(N2CCCCC2)o1)c1ccccc1
InChIInChI=1S/C17H22N4O2/c1-14(15-8-4-2-5-9-15)20-22-13-10-16-18-19-17(23-16)21-11-6-3-7-12-21/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b20-14+
InChIKeyNYUOSTIZXFBWCQ-XSFVSMFZSA-N
XLogP3.04
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.04
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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Related Compounds

4-(5-Ethyl-1,3,4-oxadiazol-2-YL)-1-(2-phenylethyl)piperazin-2-one
CID 72872341
N-[2-(5-morpholino-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenyl-methanimine
CID 15953919
N-[(5-morpholino-1,3,4-oxadiazol-2-yl)methoxy]-1-phenyl-ethanimine
CID 15953920
N-allyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15953924
1,1-diphenyl-N-[[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 15954158
1-phenyl-N-[[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]methoxy]ethanimine
CID 15954159
1,1-diphenyl-N-[2-[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine
CID 15954160
N-[2-(5-morpholino-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenyl-ethanimine
CID 15954162
N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954312
N-allyl-5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954318
N-[(E)-[(Z)-1-[5-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1,3,4-oxadiazol-2-yl]but-2-enylidene]amino]-N-methylformamide
CID 155020940
1-(5-Methyl-[1,3,4]oxadiazol-2-yl)-piperidin-4-one O-benzyl-oxime
CID 86656705

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine?
The IUPAC name of (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine (CID 15954161) is (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine.
What is the SMILES notation for (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine?
The canonical SMILES for (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine is C/C(=N\OCCc1nnc(N2CCCCC2)o1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine?
The InChIKey is NYUOSTIZXFBWCQ-XSFVSMFZSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-14(15-8-4-2-5-9-15)20-22-13-10-16-18-19-17(23-16)21-11-6-3-7-12-21/h2,4-5,8-9H,3,6-7,10-13H2,1H3/b20-14+.
What are the key properties of (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine?
(E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine has a molecular weight of 314.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-[2-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethoxy]ethanimine is sourced from PubChem (CID 15954161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).