5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine

C22H16N4O — CID 110168819

IUPAC5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESC1=Cc2ccccc2N(c2nnc(Nc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C22H16N4O/c1-2-10-18(11-3-1)23-21-24-25-22(27-21)26-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)26/h1-15H,(H,23,24)
InChIKeyVNUOTKJMYGKUPU-UHFFFAOYSA-N
MW352.40 g/mol
LogP5.77
Rot. Bonds3

About 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine

5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 110168819) has the molecular formula C22H16N4O and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID110168819
Molecular FormulaC22H16N4O
Molecular Weight352.40 g/mol
Exact Mass352.13
IUPAC Name5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESC1=Cc2ccccc2N(c2nnc(Nc3ccccc3)o2)c2ccccc21
InChIInChI=1S/C22H16N4O/c1-2-10-18(11-3-1)23-21-24-25-22(27-21)26-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)26/h1-15H,(H,23,24)
InChIKeyVNUOTKJMYGKUPU-UHFFFAOYSA-N
XLogP5.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.40
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine
CID 110168823
5-[4-(5-anilino-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11463599
2-benzo[b][1]benzazepin-11-yl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 165411742
N,5-diphenyl-1,3,4-oxadiazol-2-amine
CID 12616884
11-phenylbenzo[b][1]benzazepine
CID 11514559
5-naphthalen-1-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 2815521
5-(1-aminoethyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 103846511
5-(1-chloroethyl)-N-(4-phenylphenyl)-1,3,4-oxadiazol-2-amine
CID 106957474
N-(4-fluorophenyl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 71527254
methyl 5-anilino-1,3,4-oxadiazole-2-carboxylate
CID 15561719
5-(2-methyl-3-pyridinyl)-N-phenyl-1,3,4-oxadiazol-2-amine
CID 143729405
5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-N-phenyl-1,3,4-oxadiazol-2-amine
CID 11045337

Frequently Asked Questions

What is the IUPAC name of 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine (CID 110168819) is 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine is C1=Cc2ccccc2N(c2nnc(Nc3ccccc3)o2)c2ccccc21.
What is the InChIKey of 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is VNUOTKJMYGKUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O/c1-2-10-18(11-3-1)23-21-24-25-22(27-21)26-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)26/h1-15H,(H,23,24).
What are the key properties of 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine?
5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 352.40 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110168819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).