3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane

C29H38F3NOSi — CID 122219647

IUPAC3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC[C@H]1O[C@H](C(F)(F)F)N(Cc2ccccc2)[C@@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C29H38F3NOSi/c1-21(2)35(22(3)4,23(5)6)19-13-18-26-27(25-16-11-8-12-17-25)33(28(34-26)29(30,31)32)20-24-14-9-7-10-15-24/h7-12,14-17,21-23,26-28H,18,20H2,1-6H3/t26-,27-,28-/m1/s1
InChIKeyHFTGDSQWSARTTI-JCYYIGJDSA-N
MW501.71 g/mol
LogP8.13
Rot. Bonds7

About 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane

3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 122219647) has the molecular formula C29H38F3NOSi and a molecular weight of 501.71 g/mol. Its IUPAC name is 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
PubChem CID122219647
Molecular FormulaC29H38F3NOSi
Molecular Weight501.71 g/mol
Exact Mass501.27
IUPAC Name3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC[C@H]1O[C@H](C(F)(F)F)N(Cc2ccccc2)[C@@H]1c1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C29H38F3NOSi/c1-21(2)35(22(3)4,23(5)6)19-13-18-26-27(25-16-11-8-12-17-25)33(28(34-26)29(30,31)32)20-24-14-9-7-10-15-24/h7-12,14-17,21-23,26-28H,18,20H2,1-6H3/t26-,27-,28-/m1/s1
InChIKeyHFTGDSQWSARTTI-JCYYIGJDSA-N
XLogP8.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.71
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane (CID 122219647) is 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CC[C@H]1O[C@H](C(F)(F)F)N(Cc2ccccc2)[C@@H]1c1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is HFTGDSQWSARTTI-JCYYIGJDSA-N. The full InChI is InChI=1S/C29H38F3NOSi/c1-21(2)35(22(3)4,23(5)6)19-13-18-26-27(25-16-11-8-12-17-25)33(28(34-26)29(30,31)32)20-24-14-9-7-10-15-24/h7-12,14-17,21-23,26-28H,18,20H2,1-6H3/t26-,27-,28-/m1/s1.
What are the key properties of 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 501.71 g/mol, XLogP of 8.13, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,4R,5R)-3-benzyl-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 122219647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).