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

C16H22FNO2 — CID 59580183

IUPAC3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C16H22FNO2/c1-2-3-4-5-9-15-12-18(16(19)20-15)11-13-7-6-8-14(17)10-13/h6-8,10,15H,2-5,9,11-12H2,1H3
InChIKeyXHCOWUCWYXZYGF-UHFFFAOYSA-N
MW279.35 g/mol
LogP4.12
Rot. Bonds7

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

3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one (PubChem CID 59580183) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one
PubChem CID59580183
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2cccc(F)c2)C(=O)O1
InChIInChI=1S/C16H22FNO2/c1-2-3-4-5-9-15-12-18(16(19)20-15)11-13-7-6-8-14(17)10-13/h6-8,10,15H,2-5,9,11-12H2,1H3
InChIKeyXHCOWUCWYXZYGF-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 54.12
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 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one (CID 59580183) is 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one is CCCCCCC1CN(Cc2cccc(F)c2)C(=O)O1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
The InChIKey is XHCOWUCWYXZYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-3-4-5-9-15-12-18(16(19)20-15)11-13-7-6-8-14(17)10-13/h6-8,10,15H,2-5,9,11-12H2,1H3.
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one has a molecular weight of 279.35 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).