N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine

C19H20N4O2 — CID 15954312

IUPACN-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
SMILESC/C(=N\OCCc1nnc(NCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-15(17-10-6-3-7-11-17)23-24-13-12-18-21-22-19(25-18)20-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,20,22)/b23-15+
InChIKeyXUBPLGVFLRNICK-HZHRSRAPSA-N
MW336.40 g/mol
LogP3.66
Rot. Bonds8

About N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine

N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 15954312) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
PubChem CID15954312
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
SMILESC/C(=N\OCCc1nnc(NCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C19H20N4O2/c1-15(17-10-6-3-7-11-17)23-24-13-12-18-21-22-19(25-18)20-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,20,22)/b23-15+
InChIKeyXUBPLGVFLRNICK-HZHRSRAPSA-N
XLogP3.66
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.66
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
CID 15954172
N-benzyl-5-butyl-1,3,4-oxadiazol-2-amine
CID 75446055
3-hydrazinyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,2,4-triazol-4-amine
CID 11022129
4-[5-[(4-methoxycarbonylphenyl)methylamino]-1,3,4-oxadiazol-2-yl]butanoic acid
CID 110456611
N-ethyl-2-[(E)-1-phenylethylideneamino]oxyethanamine
CID 10242092
N-benzyl-5-phenyl-1,3,4-oxadiazol-2-amine
CID 11299717
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-(2-phenylethyl)-1,3,4-oxadiazol-2-amine
CID 75498291
5-(ethylaminomethyl)-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969533
5-(ethylaminomethyl)-N-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106967437
5-(methylaminomethyl)-N-(2-phenylmethoxyethyl)-1,3,4-oxadiazol-2-amine
CID 137335657
5-(aminomethyl)-N-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106968329
N-benzyl-5-(3-methoxythiophen-2-yl)-1,3,4-oxadiazol-2-amine
CID 110456182

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine (CID 15954312) is N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine is C/C(=N\OCCc1nnc(NCc2ccccc2)o1)c1ccccc1.
What is the InChIKey of N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is XUBPLGVFLRNICK-HZHRSRAPSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-15(17-10-6-3-7-11-17)23-24-13-12-18-21-22-19(25-18)20-14-16-8-4-2-5-9-16/h2-11H,12-14H2,1H3,(H,20,22)/b23-15+.
What are the key properties of N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 336.40 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).