(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone

C19H20FNO4 — CID 132770536

IUPAC(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccccc1F)N1CCOCC(O)(COc2ccccc2)C1
InChIInChI=1S/C19H20FNO4/c20-17-9-5-4-8-16(17)18(22)21-10-11-24-13-19(23,12-21)14-25-15-6-2-1-3-7-15/h1-9,23H,10-14H2
InChIKeySWDLKPUIQZJDPP-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.11
Rot. Bonds4

About (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone

(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone (PubChem CID 132770536) has the molecular formula C19H20FNO4 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone
PubChem CID132770536
Molecular FormulaC19H20FNO4
Molecular Weight345.37 g/mol
Exact Mass345.14
IUPAC Name(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone
SMILESO=C(c1ccccc1F)N1CCOCC(O)(COc2ccccc2)C1
InChIInChI=1S/C19H20FNO4/c20-17-9-5-4-8-16(17)18(22)21-10-11-24-13-19(23,12-21)14-25-15-6-2-1-3-7-15/h1-9,23H,10-14H2
InChIKeySWDLKPUIQZJDPP-UHFFFAOYSA-N
XLogP2.11
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone
CID 132764545
[6-hydroxy-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-2-yl)methanone
CID 132764679
2-[1-(2-fluorobenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 110081498
(3-fluorophenyl)-[3-hydroxy-3-(phenoxymethyl)pyrrolidin-1-yl]methanone
CID 132649138
4-[(2-methylpyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132764150
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(oxan-4-yl)methanone
CID 132764813
4-[[1-(3-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132772335
[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 132764680
4-[[1-(2-fluorophenyl)-4-hydroxypiperidin-4-yl]methyl]-6-[(4-methylphenoxy)methyl]-1,4-oxazepan-6-ol
CID 132767145
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
4-[(2-methoxypyrimidin-5-yl)methyl]-6-(phenoxymethyl)-1,4-oxazepan-6-ol
CID 132777297
(2,5-dimethyl-1,3-thiazol-4-yl)-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]methanone
CID 155992819

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone (CID 132770536) is (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone is O=C(c1ccccc1F)N1CCOCC(O)(COc2ccccc2)C1.
What is the InChIKey of (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone?
The InChIKey is SWDLKPUIQZJDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4/c20-17-9-5-4-8-16(17)18(22)21-10-11-24-13-19(23,12-21)14-25-15-6-2-1-3-7-15/h1-9,23H,10-14H2.
What are the key properties of (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone?
(2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone has a molecular weight of 345.37 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[6-hydroxy-6-(phenoxymethyl)-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 132770536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).