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

C12H14N4O2 — CID 15954156

IUPAC5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
SMILESC/C(=N\OCCc1nnc(N)o1)c1ccccc1
InChIInChI=1S/C12H14N4O2/c1-9(10-5-3-2-4-6-10)16-17-8-7-11-14-15-12(13)18-11/h2-6H,7-8H2,1H3,(H2,13,15)/b16-9+
InChIKeyZJQVFJMUCGAFHH-CXUHLZMHSA-N
MW246.27 g/mol
LogP1.64
Rot. Bonds5

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

5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 15954156) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
PubChem CID15954156
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
SMILESC/C(=N\OCCc1nnc(N)o1)c1ccccc1
InChIInChI=1S/C12H14N4O2/c1-9(10-5-3-2-4-6-10)16-17-8-7-11-14-15-12(13)18-11/h2-6H,7-8H2,1H3,(H2,13,15)/b16-9+
InChIKeyZJQVFJMUCGAFHH-CXUHLZMHSA-N
XLogP1.64
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.64
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

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
5-[(Benzhydrylideneamino)oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954154
5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954155

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine (CID 15954156) is 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine is C/C(=N\OCCc1nnc(N)o1)c1ccccc1.
What is the InChIKey of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ZJQVFJMUCGAFHH-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-9(10-5-3-2-4-6-10)16-17-8-7-11-14-15-12(13)18-11/h2-6H,7-8H2,1H3,(H2,13,15)/b16-9+.
What are the key properties of 5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine?
5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 246.27 g/mol, XLogP of 1.64, 5 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]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).