(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C19H29NO2Si — CID 10991179

IUPAC(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]([C@@H](C(C)C)N1C(=O)OC[C@@H]1c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H29NO2Si/c1-7-17(23(4,5)6)18(14(2)3)20-16(13-22-19(20)21)15-11-9-8-10-12-15/h7-12,14,16-18H,1,13H2,2-6H3/t16-,17+,18-/m1/s1
InChIKeyFVYGJXBPZHGGCB-FGTMMUONSA-N
MW331.53 g/mol
LogP5.10
Rot. Bonds6

About (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10991179) has the molecular formula C19H29NO2Si and a molecular weight of 331.53 g/mol. Its IUPAC name is (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10991179
Molecular FormulaC19H29NO2Si
Molecular Weight331.53 g/mol
Exact Mass331.20
IUPAC Name(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]([C@@H](C(C)C)N1C(=O)OC[C@@H]1c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C19H29NO2Si/c1-7-17(23(4,5)6)18(14(2)3)20-16(13-22-19(20)21)15-11-9-8-10-12-15/h7-12,14,16-18H,1,13H2,2-6H3/t16-,17+,18-/m1/s1
InChIKeyFVYGJXBPZHGGCB-FGTMMUONSA-N
XLogP5.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
tert-butyl (4S)-2,2-dioxo-4-phenyl-1,2lambda6,3-oxathiazolidine-3-carboxylate
CID 11243499
(R)-tert-Butyl 4-phenyl-1,2,3-oxathiazolidine-3-carboxylate 2,2-dioxide
CID 71739311
(4S)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
CID 11992675
(4R)-3-methylsulfanyl-4-phenyl-1,3-oxazolidin-2-one
CID 11992676
(4S)-3-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 6711953
N-Methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]-N-(2-phenylethyl)acetamide
CID 72841935
N-Isopropyl-N-methyl-2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-YL]acetamide
CID 72901041
3-Methacryloyl-4-phenyl-1,3-oxazolidin-2-one
CID 3962637

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 10991179) is (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C=C[C@@H]([C@@H](C(C)C)N1C(=O)OC[C@@H]1c1ccccc1)[Si](C)(C)C.
What is the InChIKey of (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FVYGJXBPZHGGCB-FGTMMUONSA-N. The full InChI is InChI=1S/C19H29NO2Si/c1-7-17(23(4,5)6)18(14(2)3)20-16(13-22-19(20)21)15-11-9-8-10-12-15/h7-12,14,16-18H,1,13H2,2-6H3/t16-,17+,18-/m1/s1.
What are the key properties of (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 331.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R,4S)-2-methyl-4-trimethylsilylhex-5-en-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10991179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).