(4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one

C24H29NO4Si — CID 100995545

IUPAC(4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C1=C(C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O
InChIInChI=1S/C24H29NO4Si/c1-30(2,3)22-20(18-15-9-10-16(12-15)19(18)21(22)26)23(27)25-17(13-29-24(25)28)11-14-7-5-4-6-8-14/h4-8,15-19H,9-13H2,1-3H3/t15-,16+,17+,18-,19+/m1/s1
InChIKeyJKXZMBDEWVYNKV-SPOLIRPYSA-N
MW423.59 g/mol
LogP4.00
Rot. Bonds4

About (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 100995545) has the molecular formula C24H29NO4Si and a molecular weight of 423.59 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID100995545
Molecular FormulaC24H29NO4Si
Molecular Weight423.59 g/mol
Exact Mass423.19
IUPAC Name(4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C1=C(C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O
InChIInChI=1S/C24H29NO4Si/c1-30(2,3)22-20(18-15-9-10-16(12-15)19(18)21(22)26)23(27)25-17(13-29-24(25)28)11-14-7-5-4-6-8-14/h4-8,15-19H,9-13H2,1-3H3/t15-,16+,17+,18-,19+/m1/s1
InChIKeyJKXZMBDEWVYNKV-SPOLIRPYSA-N
XLogP4.00
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(1R,2S,6R,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10716462
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-(3-methyl-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-4-carbonyl)-1,3-oxazolidin-2-one
CID 100995557
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358
(4S)-4-benzyl-3-but-2-ynoyl-1,3-oxazolidin-2-one
CID 10243489
(4S)-4-benzyl-3-prop-2-ynoyl-1,3-oxazolidin-2-one
CID 135041190
(4S)-4-benzyl-3-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1,3-oxazolidin-2-one
CID 14911082

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one (CID 100995545) is (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one is C[Si](C)(C)C1=C(C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O.
What is the InChIKey of (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is JKXZMBDEWVYNKV-SPOLIRPYSA-N. The full InChI is InChI=1S/C24H29NO4Si/c1-30(2,3)22-20(18-15-9-10-16(12-15)19(18)21(22)26)23(27)25-17(13-29-24(25)28)11-14-7-5-4-6-8-14/h4-8,15-19H,9-13H2,1-3H3/t15-,16+,17+,18-,19+/m1/s1.
What are the key properties of (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 423.59 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(1R,2R,6S,7S)-5-oxo-4-trimethylsilyltricyclo[5.2.1.02,6]dec-3-ene-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 100995545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).