[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone

C19H27NO5 — CID 132764813

IUPAC[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone
SMILESCc1cccc(OCC2(O)COCCN(C(=O)C3CCOCC3)C2)c1
InChIInChI=1S/C19H27NO5/c1-15-3-2-4-17(11-15)25-14-19(22)12-20(7-10-24-13-19)18(21)16-5-8-23-9-6-16/h2-4,11,16,22H,5-10,12-14H2,1H3
InChIKeyNSNOUCUSMASORJ-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.39
Rot. Bonds4

About [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone

[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone (PubChem CID 132764813) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone
PubChem CID132764813
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone
SMILESCc1cccc(OCC2(O)COCCN(C(=O)C3CCOCC3)C2)c1
InChIInChI=1S/C19H27NO5/c1-15-3-2-4-17(11-15)25-14-19(22)12-20(7-10-24-13-19)18(21)16-5-8-23-9-6-16/h2-4,11,16,22H,5-10,12-14H2,1H3
InChIKeyNSNOUCUSMASORJ-UHFFFAOYSA-N
XLogP1.39
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone with MolForge

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Related Compounds

[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone
CID 132764545
2-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 132764302
2-cyclopropyl-1-[3-hydroxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]ethanone
CID 132775743
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
[3-hydroxy-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 132764056
4-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132766411
(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone
CID 132770536
[1-[(3-methylphenyl)methyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 25249252
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132764679
[(3S,4S)-4-(3-fluorophenoxy)-3-hydroxy-3-methylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 110146769
4-[(2-methylpyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132764150

Frequently Asked Questions

What is the IUPAC name of [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone (CID 132764813) is [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone is Cc1cccc(OCC2(O)COCCN(C(=O)C3CCOCC3)C2)c1.
What is the InChIKey of [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone?
The InChIKey is NSNOUCUSMASORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-15-3-2-4-17(11-15)25-14-19(22)12-20(7-10-24-13-19)18(21)16-5-8-23-9-6-16/h2-4,11,16,22H,5-10,12-14H2,1H3.
What are the key properties of [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone?
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 132764813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).