7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

C24H26N2O2 — CID 42171406

IUPAC7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCCO[C@H](c1ccccc1)c1ccc2c(c1)CN(Cc1cccnc1)CCO2
InChIInChI=1S/C24H26N2O2/c1-2-27-24(20-8-4-3-5-9-20)21-10-11-23-22(15-21)18-26(13-14-28-23)17-19-7-6-12-25-16-19/h3-12,15-16,24H,2,13-14,17-18H2,1H3/t24-/m1/s1
InChIKeyOQCHCTQAIQNNQZ-XMMPIXPASA-N
MW374.48 g/mol
LogP4.60
Rot. Bonds6

About 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine (PubChem CID 42171406) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
PubChem CID42171406
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine
SMILESCCO[C@H](c1ccccc1)c1ccc2c(c1)CN(Cc1cccnc1)CCO2
InChIInChI=1S/C24H26N2O2/c1-2-27-24(20-8-4-3-5-9-20)21-10-11-23-22(15-21)18-26(13-14-28-23)17-19-7-6-12-25-16-19/h3-12,15-16,24H,2,13-14,17-18H2,1H3/t24-/m1/s1
InChIKeyOQCHCTQAIQNNQZ-XMMPIXPASA-N
XLogP4.60
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine 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

methyl 4-[[7-[hydroxy(pyridin-3-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]benzoate
CID 45166488
(S)-(4-propyl-3,5-dihydro-2H-1,4-benzoxazepin-7-yl)-pyridin-3-ylmethanol
CID 42277346
[4-[(1-phenylpyrazol-4-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol
CID 126464013
(R)-pyridin-3-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methanol
CID 26357267
[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(6-methyl-2,3-dihydro-1,4-dioxin-5-yl)methanone
CID 45182933
3-phenyl-1-[4-(pyridin-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]propan-1-ol
CID 126464804
1-[4-[7-[(R)-ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]piperidin-1-yl]ethanone
CID 26404858
(1S)-1-[4-[(3,5-difluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-2-phenylethanol
CID 42348143
1-[7-[ethoxy(phenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-thiophen-2-ylpropan-1-one
CID 45186970
(1R)-2-phenyl-1-[4-(pyridin-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]ethanol
CID 42166084
3-[[7-[(1S)-1-hydroxy-2-phenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol
CID 42167023
3-[[7-[(1R)-1-hydroxy-2-phenylethyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methyl]phenol
CID 42167027

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine (CID 42171406) is 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine is CCO[C@H](c1ccccc1)c1ccc2c(c1)CN(Cc1cccnc1)CCO2.
What is the InChIKey of 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
The InChIKey is OQCHCTQAIQNNQZ-XMMPIXPASA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-27-24(20-8-4-3-5-9-20)21-10-11-23-22(15-21)18-26(13-14-28-23)17-19-7-6-12-25-16-19/h3-12,15-16,24H,2,13-14,17-18H2,1H3/t24-/m1/s1.
What are the key properties of 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine?
7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine has a molecular weight of 374.48 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(R)-ethoxy(phenyl)methyl]-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 42171406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).