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

C16H22FNO2 — CID 59580216

IUPAC3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C16H22FNO2/c1-2-3-4-5-6-15-12-18(16(19)20-15)11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQGJJLACOFDMKFI-UHFFFAOYSA-N
MW279.35 g/mol
LogP4.12
Rot. Bonds7

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

3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one (PubChem CID 59580216) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one
PubChem CID59580216
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC Name3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one
SMILESCCCCCCC1CN(Cc2ccc(F)cc2)C(=O)O1
InChIInChI=1S/C16H22FNO2/c1-2-3-4-5-6-15-12-18(16(19)20-15)11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3
InChIKeyQGJJLACOFDMKFI-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'}

Analyze 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fenpipalone
CID 30822
3-Benzyl-4-hydroxy-4-methyl-1-oxa-3-azaspiro[4.5]decan-2-one
CID 3872332
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929
(R)-3-((4''-fluorobiphenyl-4-yl)methyl)-5-methyloxazolidin-2-one
CID 25173697
(R)-3-(biphenyl-4-ylmethyl)-5-methyloxazolidin-2-one
CID 25173776
(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
(5R)-3-[[4-(2,4-difluorophenyl)phenyl]methyl]-5-methyl-1,3-oxazolidin-2-one
CID 44591773
(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
5-Benzyl-3-methyl-1,3-oxazolidin-2-one
CID 3046888

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one (CID 59580216) is 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one is CCCCCCC1CN(Cc2ccc(F)cc2)C(=O)O1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
The InChIKey is QGJJLACOFDMKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-3-4-5-6-15-12-18(16(19)20-15)11-13-7-9-14(17)10-8-13/h7-10,15H,2-6,11-12H2,1H3.
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one?
3-[(4-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-[(4-fluorophenyl)methyl]-5-hexyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).