(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

C23H27NO4Si — CID 10716462

IUPAC(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
SMILESC[Si](C)(C)C1=C(C(=O)N2C(=O)OC[C@@H]2c2ccccc2)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O
InChIInChI=1S/C23H27NO4Si/c1-29(2,3)21-19(17-14-9-10-15(11-14)18(17)20(21)25)22(26)24-16(12-28-23(24)27)13-7-5-4-6-8-13/h4-8,14-18H,9-12H2,1-3H3/t14-,15+,16-,17+,18-/m1/s1
InChIKeyLVHZTSUBMOIKHE-MDMSPXHWSA-N
MW409.56 g/mol
LogP4.13
Rot. Bonds3

About (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

(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 (PubChem CID 10716462) has the molecular formula C23H27NO4Si and a molecular weight of 409.56 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10716462
Molecular FormulaC23H27NO4Si
Molecular Weight409.56 g/mol
Exact Mass409.17
IUPAC Name(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
SMILESC[Si](C)(C)C1=C(C(=O)N2C(=O)OC[C@@H]2c2ccccc2)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O
InChIInChI=1S/C23H27NO4Si/c1-29(2,3)21-19(17-14-9-10-15(11-14)18(17)20(21)25)22(26)24-16(12-28-23(24)27)13-7-5-4-6-8-13/h4-8,14-18H,9-12H2,1-3H3/t14-,15+,16-,17+,18-/m1/s1
InChIKeyLVHZTSUBMOIKHE-MDMSPXHWSA-N
XLogP4.13
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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
(4S)-3-[(1R,2R,6S,7S)-4-methyl-5-oxotricyclo[5.2.1.02,6]deca-3,8-diene-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 100995555
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(4R)-3-[(1S,2S,6S,7R)-5-oxo-4-tricyclo[5.2.1.02,6]dec-3-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101266925
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
3-[3-(6-methoxy-3-pyridinyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138546991
CID 11330760
CID 11330760

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[Si](C)(C)C1=C(C(=O)N2C(=O)OC[C@@H]2c2ccccc2)[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C1=O.
What is the InChIKey of (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?
The InChIKey is LVHZTSUBMOIKHE-MDMSPXHWSA-N. The full InChI is InChI=1S/C23H27NO4Si/c1-29(2,3)21-19(17-14-9-10-15(11-14)18(17)20(21)25)22(26)24-16(12-28-23(24)27)13-7-5-4-6-8-13/h4-8,14-18H,9-12H2,1-3H3/t14-,15+,16-,17+,18-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 409.56 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10716462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).