(E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine

C16H20N4O3 — CID 15954162

IUPAC(E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine
SMILESC/C(=N\OCCc1nnc(N2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C16H20N4O3/c1-13(14-5-3-2-4-6-14)19-22-10-7-15-17-18-16(23-15)20-8-11-21-12-9-20/h2-6H,7-12H2,1H3/b19-13+
InChIKeyFYRGSYBVMHBOGQ-CPNJWEJPSA-N
MW316.36 g/mol
LogP1.89
Rot. Bonds6

About (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine

(E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine (PubChem CID 15954162) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine
PubChem CID15954162
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine
SMILESC/C(=N\OCCc1nnc(N2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C16H20N4O3/c1-13(14-5-3-2-4-6-14)19-22-10-7-15-17-18-16(23-15)20-8-11-21-12-9-20/h2-6H,7-12H2,1H3/b19-13+
InChIKeyFYRGSYBVMHBOGQ-CPNJWEJPSA-N
XLogP1.89
TPSA72.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine?
The IUPAC name of (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine (CID 15954162) is (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine.
What is the SMILES notation for (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine?
The canonical SMILES for (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine is C/C(=N\OCCc1nnc(N2CCOCC2)o1)c1ccccc1.
What is the InChIKey of (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine?
The InChIKey is FYRGSYBVMHBOGQ-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-13(14-5-3-2-4-6-14)19-22-10-7-15-17-18-16(23-15)20-8-11-21-12-9-20/h2-6H,7-12H2,1H3/b19-13+.
What are the key properties of (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine?
(E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine has a molecular weight of 316.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenylethanimine is sourced from PubChem (CID 15954162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).