(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione

C29H33NO5Si — CID 102046800

IUPAC(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione
SMILESCOc1ccc([C@H]2OC(=O)N([C@H](CO)c3ccccc3)C(=O)[C@]2(C)C[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C29H33NO5Si/c1-29(20-36(3,4)24-13-9-6-10-14-24)26(22-15-17-23(34-2)18-16-22)35-28(33)30(27(29)32)25(19-31)21-11-7-5-8-12-21/h5-18,25-26,31H,19-20H2,1-4H3/t25-,26-,29-/m1/s1
InChIKeyKDKTWCJDOWZIRH-WWPJHQMMSA-N
MW503.67 g/mol
LogP5.07
Rot. Bonds8

About (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione

(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione (PubChem CID 102046800) has the molecular formula C29H33NO5Si and a molecular weight of 503.67 g/mol. Its IUPAC name is (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione.

Molecular Properties

Compound Name(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione
PubChem CID102046800
Molecular FormulaC29H33NO5Si
Molecular Weight503.67 g/mol
Exact Mass503.21
IUPAC Name(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione
SMILESCOc1ccc([C@H]2OC(=O)N([C@H](CO)c3ccccc3)C(=O)[C@]2(C)C[Si](C)(C)c2ccccc2)cc1
InChIInChI=1S/C29H33NO5Si/c1-29(20-36(3,4)24-13-9-6-10-14-24)26(22-15-17-23(34-2)18-16-22)35-28(33)30(27(29)32)25(19-31)21-11-7-5-8-12-21/h5-18,25-26,31H,19-20H2,1-4H3/t25-,26-,29-/m1/s1
InChIKeyKDKTWCJDOWZIRH-WWPJHQMMSA-N
XLogP5.07
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.67
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(3S,5S)-3,4-dibenzyl-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]-1-(methoxymethoxy)piperazine-2,6-dione
CID 70690224
(3S,5S)-3-benzyl-5-[(R)-hydroxy-(4-methoxyphenyl)methyl]-1-(methoxymethoxy)-4-[(4-methoxyphenyl)methyl]piperazine-2,6-dione
CID 5278513
(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-6-(4-fluorophenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione
CID 102046801
(5R,6R)-6-[3,5-bis(trifluoromethyl)phenyl]-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione
CID 135063018
(4R)-4-benzyl-3-[(2R,3S,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-2,4-dimethylheptanoyl]-1,3-oxazolidin-2-one
CID 11215549
(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-6-phenyl-1,3-oxazinane-2,4-dione
CID 49817806
(4S)-3-[(2S,3S)-2-[[dimethyl(phenyl)silyl]methyl]-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102046796
(5R,6R)-6-(3,5-ditert-butylphenyl)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-5-methyl-1,3-oxazinane-2,4-dione
CID 102046799
(4S)-4-benzyl-3-[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pentanoyl]-1,3-oxazolidin-2-one
CID 102160197
(3R,4S,5R)-1-benzyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 134850811
methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-3-(4-methoxyphenyl)propanoate
CID 139256929
(4S)-4-benzyl-3-[(2S,3R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-7-[(4-methoxyphenyl)methoxy]-2-methylheptanoyl]-1,3-oxazolidin-2-one
CID 11017369

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione?
The IUPAC name of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione (CID 102046800) is (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione.
What is the SMILES notation for (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione?
The canonical SMILES for (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione is COc1ccc([C@H]2OC(=O)N([C@H](CO)c3ccccc3)C(=O)[C@]2(C)C[Si](C)(C)c2ccccc2)cc1.
What is the InChIKey of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione?
The InChIKey is KDKTWCJDOWZIRH-WWPJHQMMSA-N. The full InChI is InChI=1S/C29H33NO5Si/c1-29(20-36(3,4)24-13-9-6-10-14-24)26(22-15-17-23(34-2)18-16-22)35-28(33)30(27(29)32)25(19-31)21-11-7-5-8-12-21/h5-18,25-26,31H,19-20H2,1-4H3/t25-,26-,29-/m1/s1.
What are the key properties of (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione?
(5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione has a molecular weight of 503.67 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-[[dimethyl(phenyl)silyl]methyl]-3-[(1S)-2-hydroxy-1-phenylethyl]-6-(4-methoxyphenyl)-5-methyl-1,3-oxazinane-2,4-dione is sourced from PubChem (CID 102046800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).