4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane

C19H23NO2 — CID 155814589

IUPAC4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
SMILESCOc1ccc(C2CCN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C19H23NO2/c1-21-18-9-7-17(8-10-18)19-11-12-20(13-14-22-19)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeySNCPVWFEKYOFEI-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.66
Rot. Bonds4

About 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane

4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane (PubChem CID 155814589) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
PubChem CID155814589
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane
SMILESCOc1ccc(C2CCN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C19H23NO2/c1-21-18-9-7-17(8-10-18)19-11-12-20(13-14-22-19)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3
InChIKeySNCPVWFEKYOFEI-UHFFFAOYSA-N
XLogP3.66
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane 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

(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
2-(1-benzylpiperidin-4-yl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 129053759
(2R)-2-(4-bromophenyl)-4-[(4-methoxyphenyl)methyl]morpholine
CID 67351459
4-benzyl-2-[(4-methoxyphenyl)methyl]morpholine
CID 142864926
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
(7R)-4-benzyl-7-(methoxymethyl)-1,4-oxazepane
CID 156540563
(2R)-4-[(2,4-dimethoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352745
6-(1-benzylpiperidin-4-yl)-2-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane
CID 157015180
[4-[(2R)-4-[(4-methoxyphenyl)methyl]morpholin-2-yl]phenyl] 4-methylbenzenesulfonate
CID 87367788
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017
(2S)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441015
N-benzyl-1-[(4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 2910855

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane?
The IUPAC name of 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane (CID 155814589) is 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane.
What is the SMILES notation for 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane?
The canonical SMILES for 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane is COc1ccc(C2CCN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane?
The InChIKey is SNCPVWFEKYOFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-21-18-9-7-17(8-10-18)19-11-12-20(13-14-22-19)15-16-5-3-2-4-6-16/h2-10,19H,11-15H2,1H3.
What are the key properties of 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane?
4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane has a molecular weight of 297.40 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-7-(4-methoxyphenyl)-1,4-oxazepane is sourced from PubChem (CID 155814589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).