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

C11H12N4O2 — CID 15954155

IUPAC5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
SMILESC/C(=N\OCc1nnc(N)o1)c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-8(9-5-3-2-4-6-9)15-16-7-10-13-14-11(12)17-10/h2-6H,7H2,1H3,(H2,12,14)/b15-8+
InChIKeyQFHLWCKAPIRIPH-OVCLIPMQSA-N
MW232.24 g/mol
LogP1.59
Rot. Bonds4

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

5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 15954155) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
PubChem CID15954155
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
SMILESC/C(=N\OCc1nnc(N)o1)c1ccccc1
InChIInChI=1S/C11H12N4O2/c1-8(9-5-3-2-4-6-9)15-16-7-10-13-14-11(12)17-10/h2-6H,7H2,1H3,(H2,12,14)/b15-8+
InChIKeyQFHLWCKAPIRIPH-OVCLIPMQSA-N
XLogP1.59
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine (CID 15954155) is 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine is C/C(=N\OCc1nnc(N)o1)c1ccccc1.
What is the InChIKey of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is QFHLWCKAPIRIPH-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-8(9-5-3-2-4-6-9)15-16-7-10-13-14-11(12)17-10/h2-6H,7H2,1H3,(H2,12,14)/b15-8+.
What are the key properties of 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine?
5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 232.24 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).