2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid

C26H24FNO5 — CID 66892251

IUPAC2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccc(F)cc1CN1C(=O)OC(c2ccccc2)C1C
InChIInChI=1S/C26H24FNO5/c1-16-25(18-6-4-3-5-7-18)33-26(31)28(16)15-19-14-20(27)9-10-21(19)22-12-17(13-24(29)30)8-11-23(22)32-2/h3-12,14,16,25H,13,15H2,1-2H3,(H,29,30)
InChIKeyRPOOWZBXKQODQG-UHFFFAOYSA-N
MW449.48 g/mol
LogP5.21
Rot. Bonds7

About 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid

2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid (PubChem CID 66892251) has the molecular formula C26H24FNO5 and a molecular weight of 449.48 g/mol. Its IUPAC name is 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid
PubChem CID66892251
Molecular FormulaC26H24FNO5
Molecular Weight449.48 g/mol
Exact Mass449.16
IUPAC Name2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1ccc(F)cc1CN1C(=O)OC(c2ccccc2)C1C
InChIInChI=1S/C26H24FNO5/c1-16-25(18-6-4-3-5-7-18)33-26(31)28(16)15-19-14-20(27)9-10-21(19)22-12-17(13-24(29)30)8-11-23(22)32-2/h3-12,14,16,25H,13,15H2,1-2H3,(H,29,30)
InChIKeyRPOOWZBXKQODQG-UHFFFAOYSA-N
XLogP5.21
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid (CID 66892251) is 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid is COc1ccc(CC(=O)O)cc1-c1ccc(F)cc1CN1C(=O)OC(c2ccccc2)C1C.
What is the InChIKey of 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid?
The InChIKey is RPOOWZBXKQODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FNO5/c1-16-25(18-6-4-3-5-7-18)33-26(31)28(16)15-19-14-20(27)9-10-21(19)22-12-17(13-24(29)30)8-11-23(22)32-2/h3-12,14,16,25H,13,15H2,1-2H3,(H,29,30).
What are the key properties of 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid?
2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid has a molecular weight of 449.48 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 66892251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).