5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

C15H20N2O3 — CID 104748144

IUPAC5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESNC(CN1C(=O)CCOc2ccccc21)C1CCOC1
InChIInChI=1S/C15H20N2O3/c16-12(11-5-7-19-10-11)9-17-13-3-1-2-4-14(13)20-8-6-15(17)18/h1-4,11-12H,5-10,16H2
InChIKeyWZCOIUDREJXWIF-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.17
Rot. Bonds3

About 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one

5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one (PubChem CID 104748144) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
PubChem CID104748144
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one
SMILESNC(CN1C(=O)CCOc2ccccc21)C1CCOC1
InChIInChI=1S/C15H20N2O3/c16-12(11-5-7-19-10-11)9-17-13-3-1-2-4-14(13)20-8-6-15(17)18/h1-4,11-12H,5-10,16H2
InChIKeyWZCOIUDREJXWIF-UHFFFAOYSA-N
XLogP1.17
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-hydroxy-3-methylbutyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 113366563
1-[2-amino-2-(oxolan-3-yl)ethyl]pyridin-2-one
CID 104747061
3-[2-amino-2-(oxolan-3-yl)ethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104747851
2-[2-amino-2-(oxolan-3-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 104747758
5-prop-2-enyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 143582572
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)-1-(oxolan-3-yl)ethanamine
CID 104746378
1-[2-amino-2-(oxolan-3-yl)ethyl]pyrrolidin-2-one
CID 104747033
1-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-3,4-dihydroquinolin-2-one
CID 104747148
1-[2-amino-2-(oxolan-3-yl)ethyl]-6-methylpyridin-2-one
CID 104747379
3-[3-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoylamino]propanamide
CID 69319529
methyl 3-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)propanoate
CID 43627739
5-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 18105390

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one?
The IUPAC name of 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one (CID 104748144) is 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one.
What is the SMILES notation for 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one?
The canonical SMILES for 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one is NC(CN1C(=O)CCOc2ccccc21)C1CCOC1.
What is the InChIKey of 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one?
The InChIKey is WZCOIUDREJXWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-12(11-5-7-19-10-11)9-17-13-3-1-2-4-14(13)20-8-6-15(17)18/h1-4,11-12H,5-10,16H2.
What are the key properties of 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one?
5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one has a molecular weight of 276.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-2-(oxolan-3-yl)ethyl]-2,3-dihydro-1,5-benzoxazepin-4-one is sourced from PubChem (CID 104748144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).