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

C17H22F3NO3 — CID 59580239

IUPAC5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2ccccc2OC(F)(F)F)C(=O)O1
InChIInChI=1S/C17H22F3NO3/c1-2-3-4-5-9-14-12-21(16(22)23-14)11-13-8-6-7-10-15(13)24-17(18,19)20/h6-8,10,14H,2-5,9,11-12H2,1H3
InChIKeyMLVWIZSIDIBBBL-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.88
Rot. Bonds8

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

5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 59580239) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID59580239
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Name5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2ccccc2OC(F)(F)F)C(=O)O1
InChIInChI=1S/C17H22F3NO3/c1-2-3-4-5-9-14-12-21(16(22)23-14)11-13-8-6-7-10-15(13)24-17(18,19)20/h6-8,10,14H,2-5,9,11-12H2,1H3
InChIKeyMLVWIZSIDIBBBL-UHFFFAOYSA-N
XLogP4.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one (CID 59580239) is 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is CCCCCCC1CN(Cc2ccccc2OC(F)(F)F)C(=O)O1.
What is the InChIKey of 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is MLVWIZSIDIBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO3/c1-2-3-4-5-9-14-12-21(16(22)23-14)11-13-8-6-7-10-15(13)24-17(18,19)20/h6-8,10,14H,2-5,9,11-12H2,1H3.
What are the key properties of 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one?
5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 345.36 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).