6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol

C25H33FN2O5 — CID 132773107

IUPAC6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol
SMILESOC1(COc2ccc(F)cc2)COCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1
InChIInChI=1S/C25H33FN2O5/c26-22-3-7-24(8-4-22)33-20-25(29)18-28(11-15-31-19-25)17-21-1-5-23(6-2-21)32-16-12-27-9-13-30-14-10-27/h1-8,29H,9-20H2
InChIKeyZCZJKZQKONYDCM-UHFFFAOYSA-N
MW460.55 g/mol
LogP2.18
Rot. Bonds9

About 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol

6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol (PubChem CID 132773107) has the molecular formula C25H33FN2O5 and a molecular weight of 460.55 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol
PubChem CID132773107
Molecular FormulaC25H33FN2O5
Molecular Weight460.55 g/mol
Exact Mass460.24
IUPAC Name6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol
SMILESOC1(COc2ccc(F)cc2)COCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1
InChIInChI=1S/C25H33FN2O5/c26-22-3-7-24(8-4-22)33-20-25(29)18-28(11-15-31-19-25)17-21-1-5-23(6-2-21)32-16-12-27-9-13-30-14-10-27/h1-8,29H,9-20H2
InChIKeyZCZJKZQKONYDCM-UHFFFAOYSA-N
XLogP2.18
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol with MolForge

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Related Compounds

6-[(4-fluorophenoxy)methyl]-4-[[3-methoxy-4-[3-(4-methylpyrazol-1-yl)propoxy]phenyl]methyl]-1,4-oxazepan-6-ol
CID 132768580
4-[[4-[2-(2-ethylimidazol-1-yl)ethoxy]-3-methoxyphenyl]methyl]-6-[(4-fluorophenoxy)methyl]-1,4-oxazepan-6-ol
CID 132768569
4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132766411
6-[(4-chlorophenoxy)methyl]-4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1,4-oxazepan-6-ol
CID 132779656
4-[(2-methylpyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132764150
4-(2-hydroxyethyl)-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132775657
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
6-[(4-chlorophenoxy)methyl]-4-[[3-(3-pyrazol-1-ylpropoxy)phenyl]methyl]-1,4-oxazepan-6-ol
CID 132773420
(3S,4S)-4-(3,5-difluorophenoxy)-1-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 175658017
4-[(2-methoxypyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132777297
6-[(3-chlorophenoxy)methyl]-4-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol
CID 132773020
6-[(3,4-difluorophenoxy)methyl]-4-[[3-(2-imidazol-1-ylethoxy)-4-methoxyphenyl]methyl]-1,4-oxazepan-6-ol
CID 132780351

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol (CID 132773107) is 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol is OC1(COc2ccc(F)cc2)COCCN(Cc2ccc(OCCN3CCOCC3)cc2)C1.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol?
The InChIKey is ZCZJKZQKONYDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN2O5/c26-22-3-7-24(8-4-22)33-20-25(29)18-28(11-15-31-19-25)17-21-1-5-23(6-2-21)32-16-12-27-9-13-30-14-10-27/h1-8,29H,9-20H2.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol?
6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol has a molecular weight of 460.55 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenoxy)methyl]-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 132773107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).