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

C19H20FNO3 — CID 91035526

IUPAC6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one
SMILESCC(c1ccccc1)N1CCC(CO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C19H20FNO3/c1-14(15-5-3-2-4-6-15)21-12-11-19(13-22,24-18(21)23)16-7-9-17(20)10-8-16/h2-10,14,22H,11-13H2,1H3
InChIKeyOUTTUYZQIHSHQF-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.62
Rot. Bonds4

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

6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one (PubChem CID 91035526) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one
PubChem CID91035526
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one
SMILESCC(c1ccccc1)N1CCC(CO)(c2ccc(F)cc2)OC1=O
InChIInChI=1S/C19H20FNO3/c1-14(15-5-3-2-4-6-15)21-12-11-19(13-22,24-18(21)23)16-7-9-17(20)10-8-16/h2-10,14,22H,11-13H2,1H3
InChIKeyOUTTUYZQIHSHQF-UHFFFAOYSA-N
XLogP3.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one?
The IUPAC name of 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one (CID 91035526) is 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one is CC(c1ccccc1)N1CCC(CO)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one?
The InChIKey is OUTTUYZQIHSHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-14(15-5-3-2-4-6-15)21-12-11-19(13-22,24-18(21)23)16-7-9-17(20)10-8-16/h2-10,14,22H,11-13H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one?
6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one has a molecular weight of 329.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-6-(hydroxymethyl)-3-(1-phenylethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 91035526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).