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

C19H27NO3Si — CID 101386969

IUPAC(4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)[C@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO3Si/c1-14(2)18(21)16(11-12-24(3,4)5)20-17(13-23-19(20)22)15-9-7-6-8-10-15/h6-10,14,16-18,21H,13H2,1-5H3/t16-,17-,18+/m0/s1
InChIKeyFNBIBHBMISNRMG-OKZBNKHCSA-N
MW345.52 g/mol
LogP3.45
Rot. Bonds4

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

(4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 101386969) has the molecular formula C19H27NO3Si and a molecular weight of 345.52 g/mol. Its IUPAC name is (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID101386969
Molecular FormulaC19H27NO3Si
Molecular Weight345.52 g/mol
Exact Mass345.18
IUPAC Name(4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H](O)[C@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C19H27NO3Si/c1-14(2)18(21)16(11-12-24(3,4)5)20-17(13-23-19(20)22)15-9-7-6-8-10-15/h6-10,14,16-18,21H,13H2,1-5H3/t16-,17-,18+/m0/s1
InChIKeyFNBIBHBMISNRMG-OKZBNKHCSA-N
XLogP3.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-2-(4-fluorophenyl)-3-hydroxypyrrolidine-1-carboxylate
CID 11310975
Ormlfknkrrwlor-irxdydnusa-
CID 15349927
(4S)-3-benzyl-4-[(1R)-1-hydroxyhexadec-2-ynyl]-1,3-oxazolidin-2-one
CID 135050477
(r)-2-(N-boc-N-methylamino)-2-phenylethanol
CID 10911980
(2S,3R)-1-tert-Butoxycarbonyl-3-(3-hydroxypropyn-1-yl)-2-phenylpiperidin-3-ol
CID 11301992
R-4-Phenyl-3-(2-propynyl)-2-oxazolidinone
CID 12076125
(4S)-3-ethyl-4-phenyl-1,3-oxazolidin-2-one
CID 60001424
3-Ethyl-4-phenyloxazolidin-2-one
CID 72619042
4-Phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(4R)-tert-butyl 2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylate
CID 66684241
(4R)-tert-butyl 4-(tert-butyldimethylsilyloxy)-2-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 66684243
(2R,4R)-tert-butyl 2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carboxylate
CID 66685055

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 101386969) is (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)[C@@H](O)[C@H](C#C[Si](C)(C)C)N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FNBIBHBMISNRMG-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H27NO3Si/c1-14(2)18(21)16(11-12-24(3,4)5)20-17(13-23-19(20)22)15-9-7-6-8-10-15/h6-10,14,16-18,21H,13H2,1-5H3/t16-,17-,18+/m0/s1.
What are the key properties of (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 345.52 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(3S,4R)-4-hydroxy-5-methyl-1-trimethylsilylhex-1-yn-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101386969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).