4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol

C16H24N2O3 — CID 70765882

IUPAC4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol
SMILESOC1COCCN(Cc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C16H24N2O3/c19-16-12-17(4-7-21-13-16)11-14-2-1-3-15(10-14)18-5-8-20-9-6-18/h1-3,10,16,19H,4-9,11-13H2
InChIKeyQNLHINNWNNEPJZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.72
Rot. Bonds3

About 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol

4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol (PubChem CID 70765882) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol.

Molecular Properties

Compound Name4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol
PubChem CID70765882
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol
SMILESOC1COCCN(Cc2cccc(N3CCOCC3)c2)C1
InChIInChI=1S/C16H24N2O3/c19-16-12-17(4-7-21-13-16)11-14-2-1-3-15(10-14)18-5-8-20-9-6-18/h1-3,10,16,19H,4-9,11-13H2
InChIKeyQNLHINNWNNEPJZ-UHFFFAOYSA-N
XLogP0.72
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol?
The IUPAC name of 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol (CID 70765882) is 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol.
What is the SMILES notation for 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol?
The canonical SMILES for 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol is OC1COCCN(Cc2cccc(N3CCOCC3)c2)C1.
What is the InChIKey of 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol?
The InChIKey is QNLHINNWNNEPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-16-12-17(4-7-21-13-16)11-14-2-1-3-15(10-14)18-5-8-20-9-6-18/h1-3,10,16,19H,4-9,11-13H2.
What are the key properties of 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol?
4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol has a molecular weight of 292.38 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-morpholin-4-ylphenyl)methyl]-1,4-oxazepan-6-ol is sourced from PubChem (CID 70765882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).