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

C23H34F3NOSi — CID 122219644

IUPAC3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCC1CN(Cc2ccccc2)C(C(F)(F)F)O1)(C(C)C)C(C)C
InChIInChI=1S/C23H34F3NOSi/c1-17(2)29(18(3)4,19(5)6)14-10-13-21-16-27(22(28-21)23(24,25)26)15-20-11-8-7-9-12-20/h7-9,11-12,17-19,21-22H,13,15-16H2,1-6H3
InChIKeyLWEYVZGZYJZXDG-UHFFFAOYSA-N
MW425.61 g/mol
LogP6.39
Rot. Bonds6

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

3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane (PubChem CID 122219644) has the molecular formula C23H34F3NOSi and a molecular weight of 425.61 g/mol. Its IUPAC name is 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
PubChem CID122219644
Molecular FormulaC23H34F3NOSi
Molecular Weight425.61 g/mol
Exact Mass425.24
IUPAC Name3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCC1CN(Cc2ccccc2)C(C(F)(F)F)O1)(C(C)C)C(C)C
InChIInChI=1S/C23H34F3NOSi/c1-17(2)29(18(3)4,19(5)6)14-10-13-21-16-27(22(28-21)23(24,25)26)15-20-11-8-7-9-12-20/h7-9,11-12,17-19,21-22H,13,15-16H2,1-6H3
InChIKeyLWEYVZGZYJZXDG-UHFFFAOYSA-N
XLogP6.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.61
LogP ≤ 56.39
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-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane (CID 122219644) is 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCC1CN(Cc2ccccc2)C(C(F)(F)F)O1)(C(C)C)C(C)C.
What is the InChIKey of 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is LWEYVZGZYJZXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F3NOSi/c1-17(2)29(18(3)4,19(5)6)14-10-13-21-16-27(22(28-21)23(24,25)26)15-20-11-8-7-9-12-20/h7-9,11-12,17-19,21-22H,13,15-16H2,1-6H3.
What are the key properties of 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane?
3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 425.61 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-benzyl-2-(trifluoromethyl)-1,3-oxazolidin-5-yl]prop-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 122219644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).