(6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one

C19H20FNO3 — CID 68724009

IUPAC(6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@](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/t14-,19-/m0/s1
InChIKeyOUTTUYZQIHSHQF-LIRRHRJNSA-N
MW329.37 g/mol
LogP3.62
Rot. Bonds4

About (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one

(6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one (PubChem CID 68724009) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one.

Molecular Properties

Compound Name(6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
PubChem CID68724009
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one
SMILESC[C@@H](c1ccccc1)N1CC[C@](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/t14-,19-/m0/s1
InChIKeyOUTTUYZQIHSHQF-LIRRHRJNSA-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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Related Compounds

(S)-3-((S)-1-(2',4'-difluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53361128
(6S)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473134
US8592410, Comparator 8
CID 53473135
(S)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(2-hydroxyethyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473136
(R)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473137
(6R)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]propyl]-6-(3-hydroxypropyl)-6-phenyl-1,3-oxazinan-2-one
CID 53473138
(R)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(2-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 53473230
(6R)-6-(3-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 53473231
(6R)-6-(4-fluorophenyl)-3-[(1S)-1-[4-(4-fluorophenyl)phenyl]ethyl]-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 53473232
(S)-3-((S)-1-(4'-fluorobiphenyl-4-yl)ethyl)-6-(4-fluorophenyl)-6-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 53473233
(6R)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-6-(3-hydroxypropyl)-1,3-oxazinan-2-one
CID 53473139
(6R)-6-(3-aminopropyl)-3-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 53473396

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The IUPAC name of (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one (CID 68724009) is (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one.
What is the SMILES notation for (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The canonical SMILES for (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one is C[C@@H](c1ccccc1)N1CC[C@](CO)(c2ccc(F)cc2)OC1=O.
What is the InChIKey of (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
The InChIKey is OUTTUYZQIHSHQF-LIRRHRJNSA-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/t14-,19-/m0/s1.
What are the key properties of (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one?
(6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-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 (6R)-6-(4-fluorophenyl)-6-(hydroxymethyl)-3-[(1S)-1-phenylethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 68724009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).