(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one

C23H34FNO3 — CID 177137934

IUPAC(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC(CCCCC)[C@@H](F)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H34FNO3/c1-3-5-8-14-19(15-9-6-4-2)21(24)22(26)25-20(17-28-23(25)27)16-18-12-10-7-11-13-18/h7,10-13,19-21H,3-6,8-9,14-17H2,1-2H3/t20-,21-/m1/s1
InChIKeyKKFKUGODWPNHLH-NHCUHLMSSA-N
MW391.53 g/mol
LogP5.69
Rot. Bonds12

About (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one (PubChem CID 177137934) has the molecular formula C23H34FNO3 and a molecular weight of 391.53 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one
PubChem CID177137934
Molecular FormulaC23H34FNO3
Molecular Weight391.53 g/mol
Exact Mass391.25
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one
SMILESCCCCCC(CCCCC)[C@@H](F)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C23H34FNO3/c1-3-5-8-14-19(15-9-6-4-2)21(24)22(26)25-20(17-28-23(25)27)16-18-12-10-7-11-13-18/h7,10-13,19-21H,3-6,8-9,14-17H2,1-2H3/t20-,21-/m1/s1
InChIKeyKKFKUGODWPNHLH-NHCUHLMSSA-N
XLogP5.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.53
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

4-benzyl-3-(2-methyldecanoyl)-1,3-oxazolidin-2-one
CID 74430125
4-benzyl-3-[(2S,3S)-3-hydroxy-2-methyldecanoyl]-1,3-oxazolidin-2-one
CID 129245127
(4R)-4-benzyl-3-(3-pentyloctanoyl)-1,3-oxazolidin-2-one
CID 177137787
(4R)-3-[(2S)-2-azido-3-butylheptanoyl]-4-benzyl-1,3-oxazolidin-2-one
CID 86586539
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-prop-2-enyloctanoyl]-1,3-oxazolidin-2-one
CID 11175810
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259
(4S)-4-benzyl-3-[(2R)-2-(hydroxymethyl)butanoyl]-1,3-oxazolidin-2-one
CID 10016346
4-benzyl-3-[(2S)-2-ethyl-3-methylbutanoyl]-1,3-oxazolidin-2-one
CID 175760920
(4S)-4-benzyl-3-(2-ethyl-3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 155316900
tert-butyl (3R)-3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)heptanoate
CID 54302293

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one (CID 177137934) is (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one is CCCCCC(CCCCC)[C@@H](F)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one?
The InChIKey is KKFKUGODWPNHLH-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H34FNO3/c1-3-5-8-14-19(15-9-6-4-2)21(24)22(26)25-20(17-28-23(25)27)16-18-12-10-7-11-13-18/h7,10-13,19-21H,3-6,8-9,14-17H2,1-2H3/t20-,21-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one has a molecular weight of 391.53 g/mol, XLogP of 5.69, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-fluoro-3-pentyloctanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 177137934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).