(5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one

C23H33NO2Si — CID 162411824

IUPAC(5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one
SMILESC/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1/CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C23H33NO2Si/c1-17(2)27(18(3)4,19(5)6)14-13-20(7)22-16-24(23(25)26-22)15-21-11-9-8-10-12-21/h8-12,17-19H,15-16H2,1-7H3/b22-20+
InChIKeyAUWRVJUSSMZLMA-LSDHQDQOSA-N
MW383.61 g/mol
LogP6.13
Rot. Bonds5

About (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one

(5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one (PubChem CID 162411824) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one
PubChem CID162411824
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Name(5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one
SMILESC/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1/CN(Cc2ccccc2)C(=O)O1
InChIInChI=1S/C23H33NO2Si/c1-17(2)27(18(3)4,19(5)6)14-13-20(7)22-16-24(23(25)26-22)15-21-11-9-8-10-12-21/h8-12,17-19H,15-16H2,1-7H3/b22-20+
InChIKeyAUWRVJUSSMZLMA-LSDHQDQOSA-N
XLogP6.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 56.13
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 (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(e)-2-(3-benzyl-4,4-dimethyl-2-oxooxazolidin-5-ylidene)-N,N-diethylacetamide
CID 132548302
3-Benzyl-5-methylidene-1,3-oxazolidin-2-one
CID 13925892
[(3E)-3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-ylidene]but-1-ynyl]-tri(propan-2-yl)silane
CID 162411823
(5E)-3-benzyl-5-ethylidene-1,3-oxazolidin-2-one
CID 10655764
2-Oxazolidinone, 4,4-dimethyl-5-methylene-3-(phenylmethyl)-
CID 11085239
5-Methylidene-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 164675976
[(1S)-2-(dibenzylamino)-1-trimethylsilylethyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 14945794
tert-butyl N-fluoro-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]carbamate
CID 173599607
Xonulhzrkphwez-uhfffaoysa-
CID 21673028
5-Methylidene-3-[(3-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 168158776
tert-butyl N-benzyl-N-[(Z)-2-trimethylsilylbut-2-enyl]carbamate
CID 10568676
tert-butyl N-benzyl-N-tri(propan-2-yl)silylcarbamate
CID 10915461

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one?
The IUPAC name of (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one (CID 162411824) is (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one?
The canonical SMILES for (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one is C/C(C#C[Si](C(C)C)(C(C)C)C(C)C)=C1/CN(Cc2ccccc2)C(=O)O1.
What is the InChIKey of (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one?
The InChIKey is AUWRVJUSSMZLMA-LSDHQDQOSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-17(2)27(18(3)4,19(5)6)14-13-20(7)22-16-24(23(25)26-22)15-21-11-9-8-10-12-21/h8-12,17-19H,15-16H2,1-7H3/b22-20+.
What are the key properties of (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one?
(5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one has a molecular weight of 383.61 g/mol, XLogP of 6.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-benzyl-5-[4-tri(propan-2-yl)silylbut-3-yn-2-ylidene]-1,3-oxazolidin-2-one is sourced from PubChem (CID 162411824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).