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

C22H18N4O2 — CID 15954169

IUPAC5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C22H18N4O2/c1-4-10-17(11-5-1)21(18-12-6-2-7-13-18)26-27-16-20-24-25-22(28-20)23-19-14-8-3-9-15-19/h1-15H,16H2,(H,23,25)
InChIKeyLARFBKXVPRTBGD-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.78
Rot. Bonds7

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

5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 15954169) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID15954169
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESc1ccc(Nc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1
InChIInChI=1S/C22H18N4O2/c1-4-10-17(11-5-1)21(18-12-6-2-7-13-18)26-27-16-20-24-25-22(28-20)23-19-14-8-3-9-15-19/h1-15H,16H2,(H,23,25)
InChIKeyLARFBKXVPRTBGD-UHFFFAOYSA-N
XLogP4.78
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.78
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'}

Analyze 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine (CID 15954169) is 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine is c1ccc(Nc2nnc(CON=C(c3ccccc3)c3ccccc3)o2)cc1.
What is the InChIKey of 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is LARFBKXVPRTBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-4-10-17(11-5-1)21(18-12-6-2-7-13-18)26-27-16-20-24-25-22(28-20)23-19-14-8-3-9-15-19/h1-15H,16H2,(H,23,25).
What are the key properties of 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine?
5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 370.41 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(benzhydrylideneamino)oxymethyl]-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 15954169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).