3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

C22H31NO3Si — CID 102326549

IUPAC3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](C(=O)N2CCOC2=O)[C@@H](c2ccccc2)C=C(C[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C22H31NO3Si/c1-15-16(2)20(21(24)23-11-12-26-22(23)25)19(17-9-7-6-8-10-17)13-18(15)14-27(3,4)5/h6-10,13,15-16,19-20H,11-12,14H2,1-5H3/t15-,16+,19+,20-/m0/s1
InChIKeyKXYNWWMAXDOOQG-FIYPYCPBSA-N
MW385.58 g/mol
LogP4.92
Rot. Bonds4

About 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one

3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 102326549) has the molecular formula C22H31NO3Si and a molecular weight of 385.58 g/mol. Its IUPAC name is 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
PubChem CID102326549
Molecular FormulaC22H31NO3Si
Molecular Weight385.58 g/mol
Exact Mass385.21
IUPAC Name3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](C(=O)N2CCOC2=O)[C@@H](c2ccccc2)C=C(C[Si](C)(C)C)[C@H]1C
InChIInChI=1S/C22H31NO3Si/c1-15-16(2)20(21(24)23-11-12-26-22(23)25)19(17-9-7-6-8-10-17)13-18(15)14-27(3,4)5/h6-10,13,15-16,19-20H,11-12,14H2,1-5H3/t15-,16+,19+,20-/m0/s1
InChIKeyKXYNWWMAXDOOQG-FIYPYCPBSA-N
XLogP4.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.58
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-oxo-4-phenyl-1-pyrrolidinecarboxylate
CID 2843063
3-(6-Phenylhexanoyl) oxazolidin-2-one
CID 101746948
3-[6-(4-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141138
3-[6-(3-Methylphenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141223
3-[6-[3-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145976181
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
3-[5-(4-Fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
3-[6-(3-Fluorophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 132141210
3-[6-(3-Iodophenyl)hexanoyl]-1,3-oxazolidin-2-one
CID 145965726
3-[6-[4-(Trifluoromethyl)phenyl]hexanoyl]-1,3-oxazolidin-2-one
CID 145970283
4-(3-Phenylbutanoyl)morpholine
CID 2914262
(4R)-4-methyl-3-(6-phenylhexanoyl)-1,3-oxazolidin-2-one
CID 132155630

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one (CID 102326549) is 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is C[C@H]1[C@H](C(=O)N2CCOC2=O)[C@@H](c2ccccc2)C=C(C[Si](C)(C)C)[C@H]1C.
What is the InChIKey of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is KXYNWWMAXDOOQG-FIYPYCPBSA-N. The full InChI is InChI=1S/C22H31NO3Si/c1-15-16(2)20(21(24)23-11-12-26-22(23)25)19(17-9-7-6-8-10-17)13-18(15)14-27(3,4)5/h6-10,13,15-16,19-20H,11-12,14H2,1-5H3/t15-,16+,19+,20-/m0/s1.
What are the key properties of 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one?
3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 385.58 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,2S,5S,6R)-5,6-dimethyl-2-phenyl-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102326549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).