(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one

C20H31NO2Si — CID 11588253

IUPAC(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](/C=C\N1C(=O)OC[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H31NO2Si/c1-15(2)24(16(3)4,17(5)6)13-12-21-19(14-23-20(21)22)18-10-8-7-9-11-18/h7-13,15-17,19H,14H2,1-6H3/b13-12-/t19-/m0/s1
InChIKeyJENIZUIIDCZOTE-HSNDNRACSA-N
MW345.56 g/mol
LogP5.91
Rot. Bonds6

About (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one

(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one (PubChem CID 11588253) has the molecular formula C20H31NO2Si and a molecular weight of 345.56 g/mol. Its IUPAC name is (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
PubChem CID11588253
Molecular FormulaC20H31NO2Si
Molecular Weight345.56 g/mol
Exact Mass345.21
IUPAC Name(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
SMILESCC(C)[Si](/C=C\N1C(=O)OC[C@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C20H31NO2Si/c1-15(2)24(16(3)4,17(5)6)13-12-21-19(14-23-20(21)22)18-10-8-7-9-11-18/h7-13,15-17,19H,14H2,1-6H3/b13-12-/t19-/m0/s1
InChIKeyJENIZUIIDCZOTE-HSNDNRACSA-N
XLogP5.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.56
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one (CID 11588253) is (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one is CC(C)[Si](/C=C\N1C(=O)OC[C@H]1c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is JENIZUIIDCZOTE-HSNDNRACSA-N. The full InChI is InChI=1S/C20H31NO2Si/c1-15(2)24(16(3)4,17(5)6)13-12-21-19(14-23-20(21)22)18-10-8-7-9-11-18/h7-13,15-17,19H,14H2,1-6H3/b13-12-/t19-/m0/s1.
What are the key properties of (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one?
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 345.56 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11588253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).