methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate

C26H29NO6 — CID 11442337

IUPACmethyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](OC(C)(C)C)C[C@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)O1
InChIInChI=1S/C26H29NO6/c1-26(2,3)33-19-15-20(24(28)30-4)31-21(16-19)27-22(17-11-7-5-8-12-17)23(32-25(27)29)18-13-9-6-10-14-18/h5-15,19,21-23H,16H2,1-4H3/t19-,21+,22+,23-/m0/s1
InChIKeyWWMYNAZLAUSBTJ-IZBOUPIGSA-N
MW451.52 g/mol
LogP4.91
Rot. Bonds5

About methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate

methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate (PubChem CID 11442337) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
PubChem CID11442337
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Namemethyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate
SMILESCOC(=O)C1=C[C@H](OC(C)(C)C)C[C@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)O1
InChIInChI=1S/C26H29NO6/c1-26(2,3)33-19-15-20(24(28)30-4)31-21(16-19)27-22(17-11-7-5-8-12-17)23(32-25(27)29)18-13-9-6-10-14-18/h5-15,19,21-23H,16H2,1-4H3/t19-,21+,22+,23-/m0/s1
InChIKeyWWMYNAZLAUSBTJ-IZBOUPIGSA-N
XLogP4.91
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4R,5S)-3-[(1S,2R)-2-fluorocyclopropyl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 14919305
methyl 2-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]furan-3-carboxylate
CID 139038429
(4R,5S)-3-[(1S)-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101047352
3-O-tert-butyl 4-O-methyl (4R,5R)-2-oxo-5-phenyl-1,3-oxazolidine-3,4-dicarboxylate
CID 102207772
(4R,5S)-3-[(2S)-6-methyl-3-methylidene-4H-pyran-2-yl]-4,5-diphenyl-1,3-oxazolidin-2-one
CID 101055653
tert-butyl 2-[(3S,4R)-2-oxo-3-[(4S,5R)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetate
CID 91382032
methyl (3R,4S)-2-hydroxy-3-methyl-4-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102492997
methyl (2R,4S)-4-(4-methylphenyl)-2-phenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102435709
methyl (2R,3S,4S)-2-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]-3,4-diphenyl-3,4-dihydro-2H-pyran-6-carboxylate
CID 102157062
dimethyl 2-[(1S,4R,5R)-4-methoxy-4-methyl-5-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]cyclopent-2-en-1-yl]propanedioate
CID 10906942
1-[(2S,3R)-2,3-diphenylaziridin-1-yl]-2,2-dimethylpropan-1-one
CID 14925845
methyl 2-diethoxyphosphoryl-2-[2-oxo-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)azetidin-1-yl]acetate
CID 88632622

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
The IUPAC name of methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate (CID 11442337) is methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate.
What is the SMILES notation for methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
The canonical SMILES for methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate is COC(=O)C1=C[C@H](OC(C)(C)C)C[C@H](N2C(=O)O[C@@H](c3ccccc3)[C@H]2c2ccccc2)O1.
What is the InChIKey of methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
The InChIKey is WWMYNAZLAUSBTJ-IZBOUPIGSA-N. The full InChI is InChI=1S/C26H29NO6/c1-26(2,3)33-19-15-20(24(28)30-4)31-21(16-19)27-22(17-11-7-5-8-12-17)23(32-25(27)29)18-13-9-6-10-14-18/h5-15,19,21-23H,16H2,1-4H3/t19-,21+,22+,23-/m0/s1.
What are the key properties of methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate?
methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate has a molecular weight of 451.52 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R)-4-[(2-methylpropan-2-yl)oxy]-2-[(4R,5S)-2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-3,4-dihydro-2H-pyran-6-carboxylate is sourced from PubChem (CID 11442337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).