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

C21H22N4O3 — CID 15953919

IUPACN-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine
SMILESc1ccc(C(=NOCCc2nnc(N3CCOCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)24-27-14-11-19-22-23-21(28-19)25-12-15-26-16-13-25/h1-10H,11-16H2
InChIKeyBGXFDVHPQCBFKQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.92
Rot. Bonds7

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

N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine (PubChem CID 15953919) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine
PubChem CID15953919
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine
SMILESc1ccc(C(=NOCCc2nnc(N3CCOCC3)o2)c2ccccc2)cc1
InChIInChI=1S/C21H22N4O3/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)24-27-14-11-19-22-23-21(28-19)25-12-15-26-16-13-25/h1-10H,11-16H2
InChIKeyBGXFDVHPQCBFKQ-UHFFFAOYSA-N
XLogP2.92
TPSA72.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.92
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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Related Compounds

N-[(5-morpholino-1,3,4-oxadiazol-2-yl)methoxy]-1-phenyl-ethanimine
CID 15953920
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
1,1-diphenyl-N-[2-[5-(1-piperidyl)-1,3,4-oxadiazol-2-yl]ethoxy]methanimine
CID 15954160
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-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954318

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine (CID 15953919) is N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine is c1ccc(C(=NOCCc2nnc(N3CCOCC3)o2)c2ccccc2)cc1.
What is the InChIKey of N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine?
The InChIKey is BGXFDVHPQCBFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)24-27-14-11-19-22-23-21(28-19)25-12-15-26-16-13-25/h1-10H,11-16H2.
What are the key properties of N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine?
N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine has a molecular weight of 378.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-morpholin-4-yl-1,3,4-oxadiazol-2-yl)ethoxy]-1,1-diphenylmethanimine is sourced from PubChem (CID 15953919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).