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

C17H16N4O2 — CID 15953925

IUPAC5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H16N4O2/c18-17-20-19-15(23-17)11-12-22-21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,20)
InChIKeyYMLOSSZTMZVEGE-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.66
Rot. Bonds6

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

5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 15953925) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
PubChem CID15953925
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(CCON=C(c2ccccc2)c2ccccc2)o1
InChIInChI=1S/C17H16N4O2/c18-17-20-19-15(23-17)11-12-22-21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,20)
InChIKeyYMLOSSZTMZVEGE-UHFFFAOYSA-N
XLogP2.66
TPSA86.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.66
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]-1,3,4-oxadiazol-2-amine
CID 15954154
5-[[(E)-1-phenylethylideneamino]oxymethyl]-1,3,4-oxadiazol-2-amine
CID 15954155
5-[2-[(E)-1-phenylethylideneamino]oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954156
N-allyl-5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine
CID 15954318

Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine (CID 15953925) is 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine is Nc1nnc(CCON=C(c2ccccc2)c2ccccc2)o1.
What is the InChIKey of 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is YMLOSSZTMZVEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c18-17-20-19-15(23-17)11-12-22-21-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,18,20).
What are the key properties of 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine?
5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 308.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzhydrylideneamino)oxyethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15953925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).