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

C15H18N4O3 — CID 15953920

IUPAC(E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine
SMILESC/C(=N\OCc1nnc(N2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C15H18N4O3/c1-12(13-5-3-2-4-6-13)18-21-11-14-16-17-15(22-14)19-7-9-20-10-8-19/h2-6H,7-11H2,1H3/b18-12+
InChIKeyIWHFJLWMHYVCOU-LDADJPATSA-N
MW302.33 g/mol
LogP1.85
Rot. Bonds5

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

(E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine (PubChem CID 15953920) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine
PubChem CID15953920
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine
SMILESC/C(=N\OCc1nnc(N2CCOCC2)o1)c1ccccc1
InChIInChI=1S/C15H18N4O3/c1-12(13-5-3-2-4-6-13)18-21-11-14-16-17-15(22-14)19-7-9-20-10-8-19/h2-6H,7-11H2,1H3/b18-12+
InChIKeyIWHFJLWMHYVCOU-LDADJPATSA-N
XLogP1.85
TPSA72.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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]-1,1-diphenyl-methanimine
CID 15953921
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-phenyl-N-[2-[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]ethoxy]ethanimine
CID 15954161
N-[2-(5-morpholino-1,3,4-oxadiazol-2-yl)ethoxy]-1-phenyl-ethanimine
CID 15954162
N-allyl-5-[(benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954316
N-allyl-5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954317
1-[5-(Methoxymethyl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethyl)piperazine
CID 137336900

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine?
The IUPAC name of (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine (CID 15953920) is (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine.
What is the SMILES notation for (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine?
The canonical SMILES for (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine is C/C(=N\OCc1nnc(N2CCOCC2)o1)c1ccccc1.
What is the InChIKey of (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine?
The InChIKey is IWHFJLWMHYVCOU-LDADJPATSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-12(13-5-3-2-4-6-13)18-21-11-14-16-17-15(22-14)19-7-9-20-10-8-19/h2-6H,7-11H2,1H3/b18-12+.
What are the key properties of (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine?
(E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine has a molecular weight of 302.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)methoxy]-1-phenylethanimine is sourced from PubChem (CID 15953920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).