(4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one

C21H31NO2Si — CID 134918130

IUPAC(4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](C#CN1C(=O)OC[C@H]1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H31NO2Si/c1-16(2)25(17(3)4,18(5)6)13-12-22-20(15-24-21(22)23)14-19-10-8-7-9-11-19/h7-11,16-18,20H,14-15H2,1-6H3/t20-/m1/s1
InChIKeyGVTGPRDNIVGMEP-HXUWFJFHSA-N
MW357.57 g/mol
LogP5.23
Rot. Bonds5

About (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one (PubChem CID 134918130) has the molecular formula C21H31NO2Si and a molecular weight of 357.57 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one
PubChem CID134918130
Molecular FormulaC21H31NO2Si
Molecular Weight357.57 g/mol
Exact Mass357.21
IUPAC Name(4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](C#CN1C(=O)OC[C@H]1Cc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C21H31NO2Si/c1-16(2)25(17(3)4,18(5)6)13-12-22-20(15-24-21(22)23)14-19-10-8-7-9-11-19/h7-11,16-18,20H,14-15H2,1-6H3/t20-/m1/s1
InChIKeyGVTGPRDNIVGMEP-HXUWFJFHSA-N
XLogP5.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.57
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
5-Benzyl-3-methyl-1,3-oxazolidin-2-one
CID 3046888
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
Locostatin
CID 5702600
4-Benzyl-2,2-dimethyl-3-propionyl-1,3-oxazolidine
CID 11842087
4-Benzyl-3-methylsulfanyl-1,3-oxazolidin-2-one
CID 11992672
4-Benzyl-3-crotonyl-2-oxazolidinone
CID 6383358
(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone
CID 10966403
tert-butyl (4S,5S)-4-benzyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
CID 21967723
(4S)-4-benzyl-3-but-2-enoyl-oxazolidin-2-one
CID 2733816

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one (CID 134918130) is (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one is CC(C)[Si](C#CN1C(=O)OC[C@H]1Cc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one?
The InChIKey is GVTGPRDNIVGMEP-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H31NO2Si/c1-16(2)25(17(3)4,18(5)6)13-12-22-20(15-24-21(22)23)14-19-10-8-7-9-11-19/h7-11,16-18,20H,14-15H2,1-6H3/t20-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one has a molecular weight of 357.57 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[2-tri(propan-2-yl)silylethynyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134918130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).