(4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one

C24H28FNO4 — CID 59512592

IUPAC(4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one
SMILESCc1cc(COCCCCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)ccc1F
InChIInChI=1S/C24H28FNO4/c1-18-14-20(11-12-22(18)25)16-29-13-7-3-6-10-23(27)26-21(17-30-24(26)28)15-19-8-4-2-5-9-19/h2,4-5,8-9,11-12,14,21H,3,6-7,10,13,15-17H2,1H3/t21-/m1/s1
InChIKeyAUDKYAQCSDAPAC-OAQYLSRUSA-N
MW413.49 g/mol
LogP4.80
Rot. Bonds10

About (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one (PubChem CID 59512592) has the molecular formula C24H28FNO4 and a molecular weight of 413.49 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one
PubChem CID59512592
Molecular FormulaC24H28FNO4
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name(4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one
SMILESCc1cc(COCCCCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)ccc1F
InChIInChI=1S/C24H28FNO4/c1-18-14-20(11-12-22(18)25)16-29-13-7-3-6-10-23(27)26-21(17-30-24(26)28)15-19-8-4-2-5-9-19/h2,4-5,8-9,11-12,14,21H,3,6-7,10,13,15-17H2,1H3/t21-/m1/s1
InChIKeyAUDKYAQCSDAPAC-OAQYLSRUSA-N
XLogP4.80
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one (CID 59512592) is (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one is Cc1cc(COCCCCCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)ccc1F.
What is the InChIKey of (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one?
The InChIKey is AUDKYAQCSDAPAC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28FNO4/c1-18-14-20(11-12-22(18)25)16-29-13-7-3-6-10-23(27)26-21(17-30-24(26)28)15-19-8-4-2-5-9-19/h2,4-5,8-9,11-12,14,21H,3,6-7,10,13,15-17H2,1H3/t21-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one has a molecular weight of 413.49 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[6-[(4-fluoro-3-methylphenyl)methoxy]hexanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59512592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).