3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one

C13H16FNO3 — CID 143755381

IUPAC3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CCCO)CCN1c1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c14-10-3-5-11(6-4-10)15-8-7-12(2-1-9-16)18-13(15)17/h3-6,12,16H,1-2,7-9H2
InChIKeyQVSLVICHSHMOGA-UHFFFAOYSA-N
MW253.27 g/mol
LogP2.31
Rot. Bonds4

About 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one

3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one (PubChem CID 143755381) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
PubChem CID143755381
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
SMILESO=C1OC(CCCO)CCN1c1ccc(F)cc1
InChIInChI=1S/C13H16FNO3/c14-10-3-5-11(6-4-10)15-8-7-12(2-1-9-16)18-13(15)17/h3-6,12,16H,1-2,7-9H2
InChIKeyQVSLVICHSHMOGA-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
3-(4-tert-butylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011629
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 51000280
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
3-bromo-1-(4-fluorophenyl)pyrrolidin-2-one
CID 63788392
5-(3-cyclohepta-1,3,4,6-tetraen-1-ylpropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 145463829
benzene;3-[1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 143755342
3-[1-(4-bromo-2-fluorophenyl)ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one;fluorobenzene
CID 143755544
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
6-(aminomethyl)-3-(4-methoxyphenyl)-1,3-oxazinan-2-one
CID 117010770

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The IUPAC name of 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one (CID 143755381) is 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one is O=C1OC(CCCO)CCN1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
The InChIKey is QVSLVICHSHMOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-10-3-5-11(6-4-10)15-8-7-12(2-1-9-16)18-13(15)17/h3-6,12,16H,1-2,7-9H2.
What are the key properties of 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one?
3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one has a molecular weight of 253.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 143755381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).