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

C16H12N4O — CID 110168823

IUPAC5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2c3ccccc3C=Cc3ccccc32)o1
InChIInChI=1S/C16H12N4O/c17-15-18-19-16(21-15)20-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)20/h1-10H,(H2,17,18)
InChIKeyZVEASJFAMWZIPD-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.61
Rot. Bonds1

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

5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine (PubChem CID 110168823) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine
PubChem CID110168823
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(N2c3ccccc3C=Cc3ccccc32)o1
InChIInChI=1S/C16H12N4O/c17-15-18-19-16(21-15)20-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)20/h1-10H,(H2,17,18)
InChIKeyZVEASJFAMWZIPD-UHFFFAOYSA-N
XLogP3.61
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.61
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

2-benzo[b][1]benzazepin-11-yl-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 165411742
5-benzo[b][1]benzazepin-11-yl-N-phenyl-1,3,4-oxadiazol-2-amine
CID 110168819
11-phenylbenzo[b][1]benzazepine
CID 11514559
2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline
CID 144914775
2-(5,5-dimethylphenothiazin-10-yl)-5-(5-ethyl-5-methylphenothiazin-10-yl)-1,3,4-oxadiazole;ethane
CID 144961516
11-prop-2-ynylbenzo[b][1]benzazepine
CID 139083428
benzo[b][1]benzazepine-11-carbonitrile
CID 612759
11-[3,5-bis(benzo[b][1]benzazepin-11-yl)-2,4-difluoro-6-(trifluoromethyl)phenyl]benzo[b][1]benzazepine
CID 134169911
11-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]phenyl]benzo[b][1]benzazepine
CID 100915206
bis(benzo[b][1]benzazepine-11-carboxamide);propanedioic acid
CID 139194666
2-[(2,2-dimethylquinolin-1-yl)methyl]-5-ethyl-1,3,4-oxadiazole
CID 122149576
5-(carbazol-9-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 46837423

Frequently Asked Questions

What is the IUPAC name of 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine (CID 110168823) is 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine is Nc1nnc(N2c3ccccc3C=Cc3ccccc32)o1.
What is the InChIKey of 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is ZVEASJFAMWZIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-15-18-19-16(21-15)20-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)20/h1-10H,(H2,17,18).
What are the key properties of 5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine?
5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 276.30 g/mol, XLogP of 3.61, 1 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-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 110168823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).