2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole

C20H21N3O — CID 52875919

IUPAC2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2Cc3ccccc3-c3ccccc3C2)o1
InChIInChI=1S/C20H21N3O/c1-14(2)20-22-21-19(24-20)13-23-11-15-7-3-5-9-17(15)18-10-6-4-8-16(18)12-23/h3-10,14H,11-13H2,1-2H3
InChIKeyOSROMHLWXRCKRN-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.38
Rot. Bonds3

About 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 52875919) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID52875919
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(CN2Cc3ccccc3-c3ccccc3C2)o1
InChIInChI=1S/C20H21N3O/c1-14(2)20-22-21-19(24-20)13-23-11-15-7-3-5-9-17(15)18-10-6-4-8-16(18)12-23/h3-10,14H,11-13H2,1-2H3
InChIKeyOSROMHLWXRCKRN-UHFFFAOYSA-N
XLogP4.38
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 52875919) is 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(CN2Cc3ccccc3-c3ccccc3C2)o1.
What is the InChIKey of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is OSROMHLWXRCKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)20-22-21-19(24-20)13-23-11-15-7-3-5-9-17(15)18-10-6-4-8-16(18)12-23/h3-10,14H,11-13H2,1-2H3.
What are the key properties of 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 319.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydrobenzo[d][2]benzazepin-6-ylmethyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 52875919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).