3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione

C31H35N3O4Si — CID 134937707

IUPAC3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](n2c(=O)cc[nH]c2=O)ON1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H35N3O4Si/c1-31(2,3)39(26-15-9-5-10-16-26,27-17-11-6-12-18-27)37-23-25-21-29(34-28(35)19-20-32-30(34)36)38-33(25)22-24-13-7-4-8-14-24/h4-20,25,29H,21-23H2,1-3H3,(H,32,36)/t25-,29-/m1/s1
InChIKeyBDEPYJOBXXBDHF-VAVYLYDRSA-N
MW541.72 g/mol
LogP3.82
Rot. Bonds8

About 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione

3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione (PubChem CID 134937707) has the molecular formula C31H35N3O4Si and a molecular weight of 541.72 g/mol. Its IUPAC name is 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione
PubChem CID134937707
Molecular FormulaC31H35N3O4Si
Molecular Weight541.72 g/mol
Exact Mass541.24
IUPAC Name3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione
SMILESCC(C)(C)[Si](OC[C@H]1C[C@H](n2c(=O)cc[nH]c2=O)ON1Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H35N3O4Si/c1-31(2,3)39(26-15-9-5-10-16-26,27-17-11-6-12-18-27)37-23-25-21-29(34-28(35)19-20-32-30(34)36)38-33(25)22-24-13-7-4-8-14-24/h4-20,25,29H,21-23H2,1-3H3,(H,32,36)/t25-,29-/m1/s1
InChIKeyBDEPYJOBXXBDHF-VAVYLYDRSA-N
XLogP3.82
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.72
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]propan-2-amine
CID 142426134
(1R,4S,5S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-oxabicyclo[3.1.0]hexan-2-one
CID 11035946
4-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-methylmorpholin-3-one
CID 131747383
[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl-methylcarbamic acid
CID 174147104
benzyl (1S,4S,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59396023
(4S,5S)-3-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-ethenyl-1,3-oxazolidin-2-one
CID 15441175
[(4aS,7R,7aS)-1-benzyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-7-yl]methoxy-tert-butyl-diphenylsilane
CID 72722960
[(3S,5R)-2-benzyl-3-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazolidin-5-yl] acetate
CID 10531902
1-[(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-fluorooxolan-2-yl]pyrimidine-2,4-dione
CID 68699521
(3S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methyloxolan-2-one
CID 71234875
(2S,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-hydroxypyrrolidine-1-carboxylic acid
CID 141362787
(1-benzyl-4,4-dimethylpyrrolidin-3-yl)methoxy-tert-butyl-diphenylsilane
CID 68912098

Frequently Asked Questions

What is the IUPAC name of 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione (CID 134937707) is 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione is CC(C)(C)[Si](OC[C@H]1C[C@H](n2c(=O)cc[nH]c2=O)ON1Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is BDEPYJOBXXBDHF-VAVYLYDRSA-N. The full InChI is InChI=1S/C31H35N3O4Si/c1-31(2,3)39(26-15-9-5-10-16-26,27-17-11-6-12-18-27)37-23-25-21-29(34-28(35)19-20-32-30(34)36)38-33(25)22-24-13-7-4-8-14-24/h4-20,25,29H,21-23H2,1-3H3,(H,32,36)/t25-,29-/m1/s1.
What are the key properties of 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione?
3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 541.72 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,5R)-2-benzyl-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2-oxazolidin-5-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 134937707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).