4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one

C22H26FNO2 — CID 143671676

IUPAC4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(CCCCc1ccc(F)cc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C22H26FNO2/c1-17(7-5-6-8-18-11-13-20(23)14-12-18)24-21(16-26-22(24)25)15-19-9-3-2-4-10-19/h2-4,9-14,17,21H,5-8,15-16H2,1H3
InChIKeyJVZYZHHZSZTECK-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.99
Rot. Bonds8

About 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one

4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 143671676) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one
PubChem CID143671676
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Name4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(CCCCc1ccc(F)cc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C22H26FNO2/c1-17(7-5-6-8-18-11-13-20(23)14-12-18)24-21(16-26-22(24)25)15-19-9-3-2-4-10-19/h2-4,9-14,17,21H,5-8,15-16H2,1H3
InChIKeyJVZYZHHZSZTECK-UHFFFAOYSA-N
XLogP4.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.99
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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Related Compounds

(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-((2''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591713
(R)-3-((3''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 44591714
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
2-Oxazolidinone, 3-(1-oxodecyl)-4-(phenylmethyl)-, (4S)-
CID 10496737
4-Benzyl-3-propionyl-1,3-oxazolidine
CID 11842098
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(4R)-4-(Diphenylmethyl)-1,3-oxazolidin-2-one
CID 9837924
(S)-(-)-4-(Diphenylmethyl)-2-oxazolidinone
CID 16213632

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one (CID 143671676) is 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one is CC(CCCCc1ccc(F)cc1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is JVZYZHHZSZTECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FNO2/c1-17(7-5-6-8-18-11-13-20(23)14-12-18)24-21(16-26-22(24)25)15-19-9-3-2-4-10-19/h2-4,9-14,17,21H,5-8,15-16H2,1H3.
What are the key properties of 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one?
4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 355.45 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[6-(4-fluorophenyl)hexan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 143671676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).