4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane

C17H24Cl2N2O2 — CID 74234750

IUPAC4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
SMILESClc1ccc(CN2CCCOC(CN3CCOCC3)C2)cc1Cl
InChIInChI=1S/C17H24Cl2N2O2/c18-16-3-2-14(10-17(16)19)11-21-4-1-7-23-15(13-21)12-20-5-8-22-9-6-20/h2-3,10,15H,1,4-9,11-13H2
InChIKeyUBNNHLXZCQRKKT-UHFFFAOYSA-N
MW359.30 g/mol
LogP2.92
Rot. Bonds4

About 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane

4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane (PubChem CID 74234750) has the molecular formula C17H24Cl2N2O2 and a molecular weight of 359.30 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
PubChem CID74234750
Molecular FormulaC17H24Cl2N2O2
Molecular Weight359.30 g/mol
Exact Mass358.12
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
SMILESClc1ccc(CN2CCCOC(CN3CCOCC3)C2)cc1Cl
InChIInChI=1S/C17H24Cl2N2O2/c18-16-3-2-14(10-17(16)19)11-21-4-1-7-23-15(13-21)12-20-5-8-22-9-6-20/h2-3,10,15H,1,4-9,11-13H2
InChIKeyUBNNHLXZCQRKKT-UHFFFAOYSA-N
XLogP2.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74232188
4-[(2-chloro-4-fluorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 74241217
3-[[(2R)-2-(morpholin-4-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99944117
[(2R)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 11346392
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methanamine
CID 10308229
1-[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-N-methylmethanamine;ethane
CID 143608551
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
(2R)-4-[(3-methylimidazol-4-yl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane
CID 99933209
4-[(3-methylsulfanylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74242478
4-benzyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,4-oxazepane
CID 135111107
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-ethenylmorpholine
CID 102352345
2-methoxy-5-[[(2S)-2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]methyl]benzoic acid
CID 99951683

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane (CID 74234750) is 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane is Clc1ccc(CN2CCCOC(CN3CCOCC3)C2)cc1Cl.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
The InChIKey is UBNNHLXZCQRKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N2O2/c18-16-3-2-14(10-17(16)19)11-21-4-1-7-23-15(13-21)12-20-5-8-22-9-6-20/h2-3,10,15H,1,4-9,11-13H2.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane?
4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane has a molecular weight of 359.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-2-(morpholin-4-ylmethyl)-1,4-oxazepane is sourced from PubChem (CID 74234750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).