1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one

C15H18F3NO2 — CID 90083096

IUPAC1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)N1COCC1Cc1ccccc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)8-4-7-14(20)19-11-21-10-13(19)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyKOZPYGYJYMMRSJ-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one

1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 90083096) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one
PubChem CID90083096
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one
SMILESO=C(CCCC(F)(F)F)N1COCC1Cc1ccccc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)8-4-7-14(20)19-11-21-10-13(19)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyKOZPYGYJYMMRSJ-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one (CID 90083096) is 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one is O=C(CCCC(F)(F)F)N1COCC1Cc1ccccc1.
What is the InChIKey of 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is KOZPYGYJYMMRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)8-4-7-14(20)19-11-21-10-13(19)9-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one?
1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 301.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzyl-1,3-oxazolidin-3-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 90083096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).