methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate

C20H19NO5 — CID 134864380

IUPACmethyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@@H]1OC(c2ccccc2)=CN(Cc2ccccc2)C1=O
InChIInChI=1S/C20H19NO5/c1-25-20(24)17(22)18-19(23)21(12-14-8-4-2-5-9-14)13-16(26-18)15-10-6-3-7-11-15/h2-11,13,17-18,22H,12H2,1H3/t17-,18+/m1/s1
InChIKeyUVFWYRFMQOIROU-MSOLQXFVSA-N
MW353.37 g/mol
LogP1.95
Rot. Bonds5

About methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate

methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate (PubChem CID 134864380) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate
PubChem CID134864380
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate
SMILESCOC(=O)[C@H](O)[C@@H]1OC(c2ccccc2)=CN(Cc2ccccc2)C1=O
InChIInChI=1S/C20H19NO5/c1-25-20(24)17(22)18-19(23)21(12-14-8-4-2-5-9-14)13-16(26-18)15-10-6-3-7-11-15/h2-11,13,17-18,22H,12H2,1H3/t17-,18+/m1/s1
InChIKeyUVFWYRFMQOIROU-MSOLQXFVSA-N
XLogP1.95
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate with MolForge

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Related Compounds

2,3-diphenylcarbonyloxy-3-[N-benzylcarbamoyl]propanoic acid
CID 2830498
(3R,4R,5R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)-5-(trifluoromethyl)pyrrolidin-2-one
CID 139095353
(4S,5S)-1-benzyl-5-hydroxy-4-phenylmethoxypyrrolidin-2-one
CID 10851542
methyl (1R,5S,7R)-3-benzyl-2-oxo-5-phenyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
CID 91182938
benzyl 6-fluoro-2-[2-[1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-2H-pyran-4-carboxylate
CID 91044378
ethyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-4H-pyran-2-carboxylate
CID 126581332
tert-butyl (2R)-2-[(2R)-4-[4-fluoro-3-(phenylmethoxymethyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 144008683
methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-3-phenylmethoxy-4H-pyran-2-carboxylate
CID 167114116
(2S,3S)-1-benzyl-4-oxo-3-phenylmethoxyazetidine-2-carboxylic acid
CID 10757399
methyl (1R,4S,5S,7R)-3-benzyl-2-oxo-4-(phenylmethoxymethyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
CID 11047585
methyl (4R,5R)-5-[benzyl-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]carbamoyl]-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11048768
(2S)-4-benzhydryl-2-[(1R)-1-hydroxyethyl]-6-phenyl-1,4-oxazin-3-one
CID 11440547

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate?
The IUPAC name of methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate (CID 134864380) is methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate.
What is the SMILES notation for methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate?
The canonical SMILES for methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate is COC(=O)[C@H](O)[C@@H]1OC(c2ccccc2)=CN(Cc2ccccc2)C1=O.
What is the InChIKey of methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate?
The InChIKey is UVFWYRFMQOIROU-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H19NO5/c1-25-20(24)17(22)18-19(23)21(12-14-8-4-2-5-9-14)13-16(26-18)15-10-6-3-7-11-15/h2-11,13,17-18,22H,12H2,1H3/t17-,18+/m1/s1.
What are the key properties of methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate?
methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate has a molecular weight of 353.37 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(2S)-4-benzyl-3-oxo-6-phenyl-1,4-oxazin-2-yl]-2-hydroxyacetate is sourced from PubChem (CID 134864380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).