(6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one

C14H13F2NO3 — CID 69004940

IUPAC(6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one
SMILESO=C1C(O)OCC2=CCC[C@@H](c3ccc(F)c(F)c3)N12
InChIInChI=1S/C14H13F2NO3/c15-10-5-4-8(6-11(10)16)12-3-1-2-9-7-20-14(19)13(18)17(9)12/h2,4-6,12,14,19H,1,3,7H2/t12-,14?/m0/s1
InChIKeyVZGGQTGSYRWKNL-NBFOIZRFSA-N
MW281.26 g/mol
LogP1.86
Rot. Bonds1

About (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one

(6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one (PubChem CID 69004940) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name(6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one
PubChem CID69004940
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name(6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one
SMILESO=C1C(O)OCC2=CCC[C@@H](c3ccc(F)c(F)c3)N12
InChIInChI=1S/C14H13F2NO3/c15-10-5-4-8(6-11(10)16)12-3-1-2-9-7-20-14(19)13(18)17(9)12/h2,4-6,12,14,19H,1,3,7H2/t12-,14?/m0/s1
InChIKeyVZGGQTGSYRWKNL-NBFOIZRFSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Benzyl-2-hydroxymorpholin-3-one
CID 9942497
(1R,6S)-1-methyl-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
CID 67373524
(1S,6S)-1-methyl-6-(3,4,5-trifluorophenyl)-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazine-3,4-dione
CID 67375437
(6S)-4-[2-(4-fluorophenyl)propan-2-yl]-2-hydroxy-6-methylmorpholin-3-one
CID 68907357
4-[(S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6,6-dimethylmorpholin-3-one
CID 68907519
4-(4-Fluorobenzyl)-2-hydroxy-6,6-dimethylmorpholin-3-one
CID 68909019
(6S)-4-[(4-fluorophenyl)methyl]-2-hydroxy-6-methylmorpholin-3-one
CID 68910687
2-Hydroxy-6-methyl-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one
CID 69003681
(2S)-2-hydroxy-6-methyl-4-[(2,3,4-trifluorophenyl)methyl]morpholin-3-one
CID 69003683
4-[(1S)-1-(4-fluorophenyl)ethyl]-2-hydroxy-6-methylmorpholin-3-one
CID 69004097
2-Hydroxy-4-(3,4,5-trifluorobenzyl)morpholin-3-one
CID 69004710
(6S)-1,3-dihydroxy-6-(3,4,5-trifluorophenyl)-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
CID 69004843

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one?
The IUPAC name of (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one (CID 69004940) is (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one is O=C1C(O)OCC2=CCC[C@@H](c3ccc(F)c(F)c3)N12.
What is the InChIKey of (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one?
The InChIKey is VZGGQTGSYRWKNL-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H13F2NO3/c15-10-5-4-8(6-11(10)16)12-3-1-2-9-7-20-14(19)13(18)17(9)12/h2,4-6,12,14,19H,1,3,7H2/t12-,14?/m0/s1.
What are the key properties of (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one?
(6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one has a molecular weight of 281.26 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(3,4-difluorophenyl)-3-hydroxy-1,6,7,8-tetrahydropyrido[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 69004940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).