2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole

C17H15N3O — CID 110168804

IUPAC2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(N2c3ccccc3CCc3ccccc32)o1
InChIInChI=1S/C17H15N3O/c1-12-18-19-17(21-12)20-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)20/h2-9H,10-11H2,1H3
InChIKeyZKZIIYTUUSZPIE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.95
Rot. Bonds1

About 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole

2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole (PubChem CID 110168804) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole
PubChem CID110168804
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(N2c3ccccc3CCc3ccccc32)o1
InChIInChI=1S/C17H15N3O/c1-12-18-19-17(21-12)20-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)20/h2-9H,10-11H2,1H3
InChIKeyZKZIIYTUUSZPIE-UHFFFAOYSA-N
XLogP3.95
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole (CID 110168804) is 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole is Cc1nnc(N2c3ccccc3CCc3ccccc32)o1.
What is the InChIKey of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole?
The InChIKey is ZKZIIYTUUSZPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-18-19-17(21-12)20-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)20/h2-9H,10-11H2,1H3.
What are the key properties of 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole?
2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole has a molecular weight of 277.33 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 110168804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).