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

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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).