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

C24H22N4O2 — CID 15954311

IUPAC5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(CCON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C24H22N4O2/c1-4-10-19(11-5-1)18-25-24-27-26-22(30-24)16-17-29-28-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,27)
InChIKeyTWDCTTVIGIZBFR-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.69
Rot. Bonds9

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

5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine (PubChem CID 15954311) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
PubChem CID15954311
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(CCON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C24H22N4O2/c1-4-10-19(11-5-1)18-25-24-27-26-22(30-24)16-17-29-28-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,27)
InChIKeyTWDCTTVIGIZBFR-UHFFFAOYSA-N
XLogP4.69
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.69
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine (CID 15954311) is 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine is c1ccc(CNc2nnc(CCON=C(c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
The InChIKey is TWDCTTVIGIZBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-4-10-19(11-5-1)18-25-24-27-26-22(30-24)16-17-29-28-23(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15H,16-18H2,(H,25,27).
What are the key properties of 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine has a molecular weight of 398.47 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(benzhydrylideneamino)oxyethyl]-N-benzyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).