(4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one

C15H29NO3Si — CID 102314449

IUPAC(4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](C)[C@H]1OC(=O)N[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO3Si/c1-8-11(2)13-12(16-14(17)19-13)9-10-18-20(6,7)15(3,4)5/h8,11-13H,1,9-10H2,2-7H3,(H,16,17)/t11-,12-,13-/m1/s1
InChIKeyMMYHUNQJWLJAFM-JHJVBQTASA-N
MW299.49 g/mol
LogP3.70
Rot. Bonds6

About (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one

(4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one (PubChem CID 102314449) has the molecular formula C15H29NO3Si and a molecular weight of 299.49 g/mol. Its IUPAC name is (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one
PubChem CID102314449
Molecular FormulaC15H29NO3Si
Molecular Weight299.49 g/mol
Exact Mass299.19
IUPAC Name(4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H](C)[C@H]1OC(=O)N[C@@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H29NO3Si/c1-8-11(2)13-12(16-14(17)19-13)9-10-18-20(6,7)15(3,4)5/h8,11-13H,1,9-10H2,2-7H3,(H,16,17)/t11-,12-,13-/m1/s1
InChIKeyMMYHUNQJWLJAFM-JHJVBQTASA-N
XLogP3.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one (CID 102314449) is (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one is C=C[C@@H](C)[C@H]1OC(=O)N[C@@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is MMYHUNQJWLJAFM-JHJVBQTASA-N. The full InChI is InChI=1S/C15H29NO3Si/c1-8-11(2)13-12(16-14(17)19-13)9-10-18-20(6,7)15(3,4)5/h8,11-13H,1,9-10H2,2-7H3,(H,16,17)/t11-,12-,13-/m1/s1.
What are the key properties of (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one?
(4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 299.49 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-[(2R)-but-3-en-2-yl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102314449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).