3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one

C14H16FNO3 — CID 71098231

IUPAC3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCCc1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C14H16FNO3/c15-12-7-5-11(6-8-12)3-1-2-4-13(17)16-9-10-19-14(16)18/h5-8H,1-4,9-10H2
InChIKeyTZNXTQSHULFDLT-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.52
Rot. Bonds5

About 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one

3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one (PubChem CID 71098231) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
PubChem CID71098231
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCCc1ccc(F)cc1)N1CCOC1=O
InChIInChI=1S/C14H16FNO3/c15-12-7-5-11(6-8-12)3-1-2-4-13(17)16-9-10-19-14(16)18/h5-8H,1-4,9-10H2
InChIKeyTZNXTQSHULFDLT-UHFFFAOYSA-N
XLogP2.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.52
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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Related Compounds

3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one
CID 141382545
3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
CID 143276417
1-[4-(4-fluorophenyl)butanoyl]-2,3-dihydroquinolin-4-one
CID 110612549
acetylene;(Z)-but-2-ene;3-[(5S)-5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one;prop-1-ene;prop-1-yne
CID 142174372
6-(4-fluorophenyl)hexanoic acid
CID 14739735
11-(4-fluorophenyl)undecanamide
CID 144640590
5-(4-fluorophenyl)-N-formylpentanamide
CID 145350810
3-[2-(4-chlorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 102525452
4-fluoro-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethoxy]benzoic acid
CID 107014254
4-(4-fluorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 82486693
5-(4-fluorophenyl)pentaneperoxoic acid
CID 87783739

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one (CID 71098231) is 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one is O=C(CCCCc1ccc(F)cc1)N1CCOC1=O.
What is the InChIKey of 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is TZNXTQSHULFDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-7-5-11(6-8-12)3-1-2-4-13(17)16-9-10-19-14(16)18/h5-8H,1-4,9-10H2.
What are the key properties of 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one?
3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 265.28 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71098231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).