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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Related Compounds

2-[4-methoxy-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 58120055
2-[4-(carboxymethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 58120058
2-[2,4-dimethoxy-5-[2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetic acid
CID 143857672
benzyl 2-[3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]-4-phenylmethoxyphenyl]acetate
CID 58120048
ethyl 2-[4-ethoxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66892229
4-[3-[2-[[(4S,5R)-5-(3-fluorophenyl)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylphenyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 58355971
cyclopropylmethyl 2-[4-(cyclopropylmethoxy)-3-[4-methyl-2-[[(4S,5R)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]phenyl]acetate
CID 58120035
2-[3-[2-[[(4S,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenoxy]-4-phenylmethoxyphenyl]acetic acid
CID 67105404
4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenoxy]butanoic acid
CID 145448178
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[5-(2-fluorophenyl)-2-methoxyphenyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 164627393
CID 89164293
CID 89164293
(4S,5R)-3-[[5-(butylamino)-2-[5-(3,3-dihydroxypropyl)-2-methoxyphenyl]phenyl]methyl]-5-[3-(1,1-difluoroethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 148565587

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).