2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile

C16H19FN2O2 — CID 59580233

IUPAC2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
SMILESCCCCCCC1CN(c2ccc(C#N)c(F)c2)C(=O)O1
InChIInChI=1S/C16H19FN2O2/c1-2-3-4-5-6-14-11-19(16(20)21-14)13-8-7-12(10-18)15(17)9-13/h7-9,14H,2-6,11H2,1H3
InChIKeyCUHOGGGDEZNCDR-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.99
Rot. Bonds6

About 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile

2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile (PubChem CID 59580233) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
PubChem CID59580233
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile
SMILESCCCCCCC1CN(c2ccc(C#N)c(F)c2)C(=O)O1
InChIInChI=1S/C16H19FN2O2/c1-2-3-4-5-6-14-11-19(16(20)21-14)13-8-7-12(10-18)15(17)9-13/h7-9,14H,2-6,11H2,1H3
InChIKeyCUHOGGGDEZNCDR-UHFFFAOYSA-N
XLogP3.99
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.99
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-(4-ethynyl-3-fluorophenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 89014870
2-[2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)phenyl]acetonitrile
CID 59580299
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzonitrile
CID 67538154
5-hexyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 22368592
5-dodecyl-3-phenyl-1,3-oxazolidin-2-one
CID 23270939
3-(4-cyclopropylphenyl)-5-hexyl-1,3-oxazolidin-2-one
CID 59580221
(5R)-5-hexyl-3-thiophen-3-yl-1,3-oxazolidin-2-one
CID 124582743
5-hexyl-3-quinazolin-7-yl-1,3-oxazolidin-2-one
CID 59580231
(5S)-5-hexyl-3-thiophen-2-yl-1,3-oxazolidin-2-one
CID 124582742
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluoroanilino]-5-oxo-2-propan-2-ylcyclohepta-1,3,6-triene-1-carbonitrile
CID 143555054
2-fluoro-4-(4-heptyl-1,3-dioxan-2-yl)benzonitrile
CID 23041388

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
The IUPAC name of 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile (CID 59580233) is 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile is CCCCCCC1CN(c2ccc(C#N)c(F)c2)C(=O)O1.
What is the InChIKey of 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
The InChIKey is CUHOGGGDEZNCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-2-3-4-5-6-14-11-19(16(20)21-14)13-8-7-12(10-18)15(17)9-13/h7-9,14H,2-6,11H2,1H3.
What are the key properties of 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile?
2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile has a molecular weight of 290.34 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-hexyl-2-oxo-1,3-oxazolidin-3-yl)benzonitrile is sourced from PubChem (CID 59580233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).