2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one

C20H24N2O2 — CID 162638466

IUPAC2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
SMILESO=C1CCc2ccccc2CN1Cc1cc(C2CCCCC2)no1
InChIInChI=1S/C20H24N2O2/c23-20-11-10-15-6-4-5-9-17(15)13-22(20)14-18-12-19(21-24-18)16-7-2-1-3-8-16/h4-6,9,12,16H,1-3,7-8,10-11,13-14H2
InChIKeyIYBYRYVPSGAJMY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.20
Rot. Bonds3

About 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one

2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 162638466) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID162638466
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
SMILESO=C1CCc2ccccc2CN1Cc1cc(C2CCCCC2)no1
InChIInChI=1S/C20H24N2O2/c23-20-11-10-15-6-4-5-9-17(15)13-22(20)14-18-12-19(21-24-18)16-7-2-1-3-8-16/h4-6,9,12,16H,1-3,7-8,10-11,13-14H2
InChIKeyIYBYRYVPSGAJMY-UHFFFAOYSA-N
XLogP4.20
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one with MolForge

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Related Compounds

9-benzyl-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 163317627
(3S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-3-methyl-1-(2-methylpropyl)piperazin-2-one
CID 95710005
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dimethyl-1,3-oxazol-2-one
CID 72926326
(6S)-4-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97137021
8-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-2-cyclopropyl-2,8-diazaspiro[5.5]undecan-3-one
CID 72908060
3-cyclopropyl-5-(2,3-dihydro-1H-inden-2-ylsulfinylmethyl)-1,2-oxazole
CID 167881613
2-(3-oxo-4,5-dihydro-1H-2-benzazepin-2-yl)acetic acid
CID 70231632
2-[(1,3,5-trimethylpyrazol-4-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162631538
2-(3-cyclopentyl-1,2-oxazol-5-yl)ethanamine
CID 82408902
5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397824
2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 162628333
2-[[4-(difluoromethoxy)phenyl]methyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162636334

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one (CID 162638466) is 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one is O=C1CCc2ccccc2CN1Cc1cc(C2CCCCC2)no1.
What is the InChIKey of 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is IYBYRYVPSGAJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c23-20-11-10-15-6-4-5-9-17(15)13-22(20)14-18-12-19(21-24-18)16-7-2-1-3-8-16/h4-6,9,12,16H,1-3,7-8,10-11,13-14H2.
What are the key properties of 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one?
2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 324.42 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 162638466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).