5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine

C20H20N4O2 — CID 15954318

IUPAC5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CCON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C20H20N4O2/c1-2-14-21-20-23-22-18(26-20)13-15-25-24-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H,21,23)
InChIKeyRQUFSDZZHLNYQQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.68
Rot. Bonds9

About 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine

5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (PubChem CID 15954318) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
PubChem CID15954318
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CCON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C20H20N4O2/c1-2-14-21-20-23-22-18(26-20)13-15-25-24-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H,21,23)
InChIKeyRQUFSDZZHLNYQQ-UHFFFAOYSA-N
XLogP3.68
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
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': 'isolated_alkene', '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-allyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15953924
5-[2-(Benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15953925
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-benzyl-5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954310
5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
CID 15954311
N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954312
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
2-{2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl}-6-phenylpyridazin-3(2H)-one
CID 72895935

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (CID 15954318) is 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is C=CCNc1nnc(CCON=C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The InChIKey is RQUFSDZZHLNYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-14-21-20-23-22-18(26-20)13-15-25-24-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h2-12H,1,13-15H2,(H,21,23).
What are the key properties of 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine has a molecular weight of 348.41 g/mol, XLogP of 3.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzhydrylideneamino)oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).