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

C23H20N4O2 — CID 15954172

IUPAC5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C23H20N4O2/c1-4-10-18(11-5-1)16-24-23-26-25-21(29-23)17-28-27-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,26)
InChIKeyNXKXHLHYAKFURS-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.65
Rot. Bonds8

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

5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine (PubChem CID 15954172) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
PubChem CID15954172
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(CNc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C23H20N4O2/c1-4-10-18(11-5-1)16-24-23-26-25-21(29-23)17-28-27-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,26)
InChIKeyNXKXHLHYAKFURS-UHFFFAOYSA-N
XLogP4.65
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.65
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-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine (CID 15954172) is 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine is c1ccc(CNc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
The InChIKey is NXKXHLHYAKFURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-4-10-18(11-5-1)16-24-23-26-25-21(29-23)17-28-27-22(19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16-17H2,(H,24,26).
What are the key properties of 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine?
5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine has a molecular weight of 384.44 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzhydrylideneamino)oxymethyl]-N-benzyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).