(2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one

C32H33NO3 — CID 102410188

IUPAC(2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one
SMILESCC1(C)OC[C@@H](c2ccccc2)N1C(=O)[C@H](Cc1ccccc1)[C@@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C32H33NO3/c1-31(2)33(29(22-36-31)25-15-8-5-9-16-25)30(34)28(20-23-12-6-4-7-13-23)32(3,35)27-19-18-24-14-10-11-17-26(24)21-27/h4-19,21,28-29,35H,20,22H2,1-3H3/t28-,29-,32-/m0/s1
InChIKeyJFOWQWIERXXJIK-OLWNVYNHSA-N
MW479.62 g/mol
LogP6.24
Rot. Bonds6

About (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one

(2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one (PubChem CID 102410188) has the molecular formula C32H33NO3 and a molecular weight of 479.62 g/mol. Its IUPAC name is (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one
PubChem CID102410188
Molecular FormulaC32H33NO3
Molecular Weight479.62 g/mol
Exact Mass479.25
IUPAC Name(2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one
SMILESCC1(C)OC[C@@H](c2ccccc2)N1C(=O)[C@H](Cc1ccccc1)[C@@](C)(O)c1ccc2ccccc2c1
InChIInChI=1S/C32H33NO3/c1-31(2)33(29(22-36-31)25-15-8-5-9-16-25)30(34)28(20-23-12-6-4-7-13-23)32(3,35)27-19-18-24-14-10-11-17-26(24)21-27/h4-19,21,28-29,35H,20,22H2,1-3H3/t28-,29-,32-/m0/s1
InChIKeyJFOWQWIERXXJIK-OLWNVYNHSA-N
XLogP6.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.62
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one with MolForge

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Related Compounds

(4S)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-methyl-3-naphthalen-1-ylpropanoyl]-1,3-oxazolidin-2-one
CID 15526516
(2S,3S)-3-hydroxy-2-methyl-N-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-naphthalen-1-ylethyl]-3-phenylpropanamide
CID 101508270
(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-hydroxy-3,4-diphenylbutan-1-one
CID 102147664
(4S)-4-benzyl-3-[(2S)-6-[tert-butyl(diphenyl)silyl]oxy-2-[(S)-hydroxy(naphthalen-1-yl)methyl]hexanoyl]-1,3-oxazolidin-2-one
CID 134865703
(3S,4S)-1-benzyl-3-fluoro-3-[hydroxy(naphthalen-2-yl)methyl]-4-phenylazetidin-2-one
CID 72190692
(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108641925
(4Z)-5-(4-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-propan-2-yloxyethyl)pyrrolidine-2,3-dione
CID 108642008
(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 108644414
(4E)-5-(2-fluorophenyl)-4-[hydroxy(naphthalen-2-yl)methylidene]-1-(2-propan-2-yloxyethyl)pyrrolidine-2,3-dione
CID 108644498
(4E)-4-[hydroxy(4-methylphenyl)methylidene]-1-(3-methoxypropyl)-5-(naphthalen-1-yl)pyrrolidine-2,3-dione
CID 5767998
1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-[hydroxy(phenyl)methyl]-3-methylbutan-1-one
CID 18552702
(5-Methyl-2-propan-2-ylcyclohexyl) 3-(1-naphthalen-1-ylethyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxylate
CID 18474965

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one?
The IUPAC name of (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one (CID 102410188) is (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one.
What is the SMILES notation for (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one?
The canonical SMILES for (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one is CC1(C)OC[C@@H](c2ccccc2)N1C(=O)[C@H](Cc1ccccc1)[C@@](C)(O)c1ccc2ccccc2c1.
What is the InChIKey of (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one?
The InChIKey is JFOWQWIERXXJIK-OLWNVYNHSA-N. The full InChI is InChI=1S/C32H33NO3/c1-31(2)33(29(22-36-31)25-15-8-5-9-16-25)30(34)28(20-23-12-6-4-7-13-23)32(3,35)27-19-18-24-14-10-11-17-26(24)21-27/h4-19,21,28-29,35H,20,22H2,1-3H3/t28-,29-,32-/m0/s1.
What are the key properties of (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one?
(2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one has a molecular weight of 479.62 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-benzyl-1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-naphthalen-2-ylbutan-1-one is sourced from PubChem (CID 102410188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).