5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C17H22F3NO2 — CID 59580315

IUPAC5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2cccc(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C17H22F3NO2/c1-2-3-4-5-9-15-12-21(16(22)23-15)11-13-7-6-8-14(10-13)17(18,19)20/h6-8,10,15H,2-5,9,11-12H2,1H3
InChIKeyDAJSSJYLRCTEMM-UHFFFAOYSA-N
MW329.36 g/mol
LogP5.00
Rot. Bonds7

About 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 59580315) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID59580315
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2cccc(C(F)(F)F)c2)C(=O)O1
InChIInChI=1S/C17H22F3NO2/c1-2-3-4-5-9-15-12-21(16(22)23-15)11-13-7-6-8-14(10-13)17(18,19)20/h6-8,10,15H,2-5,9,11-12H2,1H3
InChIKeyDAJSSJYLRCTEMM-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 59580315) is 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is CCCCCCC1CN(Cc2cccc(C(F)(F)F)c2)C(=O)O1.
What is the InChIKey of 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is DAJSSJYLRCTEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-2-3-4-5-9-15-12-21(16(22)23-15)11-13-7-6-8-14(10-13)17(18,19)20/h6-8,10,15H,2-5,9,11-12H2,1H3.
What are the key properties of 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 329.36 g/mol, XLogP of 5.00, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).