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

C15H18N4O2 — CID 15953924

IUPAC5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CCO/N=C(\C)c2ccccc2)o1
InChIInChI=1S/C15H18N4O2/c1-3-10-16-15-18-17-14(21-15)9-11-20-19-12(2)13-7-5-4-6-8-13/h3-8H,1,9-11H2,2H3,(H,16,18)/b19-12+
InChIKeyUZSDRXRSHVSYJE-XDHOZWIPSA-N
MW286.34 g/mol
LogP2.65
Rot. Bonds8

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

5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (PubChem CID 15953924) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
PubChem CID15953924
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine
SMILESC=CCNc1nnc(CCO/N=C(\C)c2ccccc2)o1
InChIInChI=1S/C15H18N4O2/c1-3-10-16-15-18-17-14(21-15)9-11-20-19-12(2)13-7-5-4-6-8-13/h3-8H,1,9-11H2,2H3,(H,16,18)/b19-12+
InChIKeyUZSDRXRSHVSYJE-XDHOZWIPSA-N
XLogP2.65
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.65
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

5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954156
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
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
N-allyl-5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954318
N-(5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl)cinnamamide
CID 71781007
N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]-3-phenylprop-2-enamide
CID 71961221
2-{2-[(5-ethyl-1,3,4-oxadiazol-2-yl)amino]ethyl}-6-phenylpyridazin-3(2H)-one
CID 72895935
5-(2-aminoethyl)-N-(4-phenylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106959255

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine (CID 15953924) is 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is C=CCNc1nnc(CCO/N=C(\C)c2ccccc2)o1.
What is the InChIKey of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
The InChIKey is UZSDRXRSHVSYJE-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-10-16-15-18-17-14(21-15)9-11-20-19-12(2)13-7-5-4-6-8-13/h3-8H,1,9-11H2,2H3,(H,16,18)/b19-12+.
What are the key properties of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine?
5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine has a molecular weight of 286.34 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-N-prop-2-enyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15953924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).