1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone

C26H25N5O3 — CID 26337530

IUPAC1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCOc2ccc([C@H](O)C(c3ccccc3)c3ccccc3)cc2C1
InChIInChI=1S/C26H25N5O3/c32-24(17-31-18-27-28-29-31)30-13-14-34-23-12-11-21(15-22(23)16-30)26(33)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,18,25-26,33H,13-14,16-17H2/t26-/m0/s1
InChIKeyMQUOMDXUEUVEAA-SANMLTNESA-N
MW455.52 g/mol
LogP2.96
Rot. Bonds6

About 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone

1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 26337530) has the molecular formula C26H25N5O3 and a molecular weight of 455.52 g/mol. Its IUPAC name is 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID26337530
Molecular FormulaC26H25N5O3
Molecular Weight455.52 g/mol
Exact Mass455.20
IUPAC Name1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCOc2ccc([C@H](O)C(c3ccccc3)c3ccccc3)cc2C1
InChIInChI=1S/C26H25N5O3/c32-24(17-31-18-27-28-29-31)30-13-14-34-23-12-11-21(15-22(23)16-30)26(33)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,18,25-26,33H,13-14,16-17H2/t26-/m0/s1
InChIKeyMQUOMDXUEUVEAA-SANMLTNESA-N
XLogP2.96
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone (CID 26337530) is 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCOc2ccc([C@H](O)C(c3ccccc3)c3ccccc3)cc2C1.
What is the InChIKey of 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is MQUOMDXUEUVEAA-SANMLTNESA-N. The full InChI is InChI=1S/C26H25N5O3/c32-24(17-31-18-27-28-29-31)30-13-14-34-23-12-11-21(15-22(23)16-30)26(33)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,15,18,25-26,33H,13-14,16-17H2/t26-/m0/s1.
What are the key properties of 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone?
1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 455.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(1R)-1-hydroxy-2,2-diphenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 26337530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).