7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

C15H20N2O3 — CID 104525759

IUPAC7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESNC(c1ccc2c(c1)C(=O)NCCO2)C1CCCOC1
InChIInChI=1S/C15H20N2O3/c16-14(11-2-1-6-19-9-11)10-3-4-13-12(8-10)15(18)17-5-7-20-13/h3-4,8,11,14H,1-2,5-7,9,16H2,(H,17,18)
InChIKeyZXCPBDWUUYGETG-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.24
Rot. Bonds2

About 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one

7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one (PubChem CID 104525759) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
PubChem CID104525759
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
SMILESNC(c1ccc2c(c1)C(=O)NCCO2)C1CCCOC1
InChIInChI=1S/C15H20N2O3/c16-14(11-2-1-6-19-9-11)10-3-4-13-12(8-10)15(18)17-5-7-20-13/h3-4,8,11,14H,1-2,5-7,9,16H2,(H,17,18)
InChIKeyZXCPBDWUUYGETG-UHFFFAOYSA-N
XLogP1.24
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[methylamino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525855
7-[amino(7-bicyclo[4.1.0]heptanyl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525792
7-(1-amino-2,2,2-trifluoroethyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525783
7-[1,4-dioxan-2-yl(hydroxy)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526273
7-[7-bicyclo[4.1.0]heptanyl(chloro)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526586
2-[2-amino-2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)ethoxy]acetamide
CID 104526058
2-[2-amino-2-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-7-yl)ethoxy]acetic acid
CID 104526044
7-(1-amino-3-methylpentyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 114874608
7-[2-bicyclo[2.2.1]heptanyl(hydroxy)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526340
7-(1-bromo-2,2,2-trifluoroethyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526692
7-(oxetan-3-ylamino)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 175865298
7-[1-(methylamino)butyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104525878

Frequently Asked Questions

What is the IUPAC name of 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The IUPAC name of 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one (CID 104525759) is 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one.
What is the SMILES notation for 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The canonical SMILES for 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one is NC(c1ccc2c(c1)C(=O)NCCO2)C1CCCOC1.
What is the InChIKey of 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
The InChIKey is ZXCPBDWUUYGETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-14(11-2-1-6-19-9-11)10-3-4-13-12(8-10)15(18)17-5-7-20-13/h3-4,8,11,14H,1-2,5-7,9,16H2,(H,17,18).
What are the key properties of 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one?
7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one has a molecular weight of 276.34 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[amino(oxan-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 104525759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).