(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one

C26H24N2O5 — CID 101131007

IUPAC(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one
SMILESCOc1ccc([C@H]2O[C@H](c3ccccc3)NC(=O)[C@@H]2N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5/c1-31-20-14-12-18(13-15-20)23-22(24(29)27-25(33-23)19-10-6-3-7-11-19)28-21(16-32-26(28)30)17-8-4-2-5-9-17/h2-15,21-23,25H,16H2,1H3,(H,27,29)/t21-,22-,23-,25-/m1/s1
InChIKeyIOWMXQQLRJFYKX-VWBWNGLSSA-N
MW444.49 g/mol
LogP4.14
Rot. Bonds5

About (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one

(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one (PubChem CID 101131007) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one.

Molecular Properties

Compound Name(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one
PubChem CID101131007
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one
SMILESCOc1ccc([C@H]2O[C@H](c3ccccc3)NC(=O)[C@@H]2N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C26H24N2O5/c1-31-20-14-12-18(13-15-20)23-22(24(29)27-25(33-23)19-10-6-3-7-11-19)28-21(16-32-26(28)30)17-8-4-2-5-9-17/h2-15,21-23,25H,16H2,1H3,(H,27,29)/t21-,22-,23-,25-/m1/s1
InChIKeyIOWMXQQLRJFYKX-VWBWNGLSSA-N
XLogP4.14
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one with MolForge

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Related Compounds

(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
CID 101130998
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11689154
(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251083
(4R)-3-[(3S,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 155019869
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 66933021
(4R)-3-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 153407374
3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 18608249
5-(4-methoxyphenyl)-1,5,7,7a-tetrahydro-[1,3]thiazolo[3,4-c][1,3]oxazol-3-one
CID 117063247
(4R)-3-[(1S,5S)-6-methyl-3-oxo-8-oxabicyclo[3.2.1]oct-6-en-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 135066606
methyl (2S,3R,6R,7S)-8-oxo-7-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-phenylsulfanyl-1-azabicyclo[4.2.0]octane-2-carboxylate
CID 10095382
(4S)-4-phenyl-3-[4,4,4-trifluoro-3-(4-methoxyphenyl)butanoyl]-1,3-oxazolidin-2-one
CID 15472864

Frequently Asked Questions

What is the IUPAC name of (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one?
The IUPAC name of (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one (CID 101131007) is (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one.
What is the SMILES notation for (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one?
The canonical SMILES for (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one is COc1ccc([C@H]2O[C@H](c3ccccc3)NC(=O)[C@@H]2N2C(=O)OC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one?
The InChIKey is IOWMXQQLRJFYKX-VWBWNGLSSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-31-20-14-12-18(13-15-20)23-22(24(29)27-25(33-23)19-10-6-3-7-11-19)28-21(16-32-26(28)30)17-8-4-2-5-9-17/h2-15,21-23,25H,16H2,1H3,(H,27,29)/t21-,22-,23-,25-/m1/s1.
What are the key properties of (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one?
(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one has a molecular weight of 444.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one is sourced from PubChem (CID 101131007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).