methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate

C27H24F3NO6 — CID 67105870

IUPACmethyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(O)c(Oc2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3ccccc3)C2C)c1
InChIInChI=1S/C27H24F3NO6/c1-16-25(18-6-4-3-5-7-18)37-26(34)31(16)15-19-14-20(27(28,29)30)9-11-22(19)36-23-12-17(8-10-21(23)32)13-24(33)35-2/h3-12,14,16,25,32H,13,15H2,1-2H3
InChIKeyFBKZXEHXJOVGOW-UHFFFAOYSA-N
MW515.48 g/mol
LogP6.00
Rot. Bonds7

About methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate

methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate (PubChem CID 67105870) has the molecular formula C27H24F3NO6 and a molecular weight of 515.48 g/mol. Its IUPAC name is methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate
PubChem CID67105870
Molecular FormulaC27H24F3NO6
Molecular Weight515.48 g/mol
Exact Mass515.16
IUPAC Namemethyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(O)c(Oc2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3ccccc3)C2C)c1
InChIInChI=1S/C27H24F3NO6/c1-16-25(18-6-4-3-5-7-18)37-26(34)31(16)15-19-14-20(27(28,29)30)9-11-22(19)36-23-12-17(8-10-21(23)32)13-24(33)35-2/h3-12,14,16,25,32H,13,15H2,1-2H3
InChIKeyFBKZXEHXJOVGOW-UHFFFAOYSA-N
XLogP6.00
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.48
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
CID 66891382
methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-bromophenoxy]-4-methoxyphenyl]acetate
CID 58237490
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
CID 89164293
CID 89164293
2-[3-[4-fluoro-2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]phenyl]-4-methoxyphenyl]acetic acid
CID 66892251
methyl 2-[3-[2-[[(3aS,8bR)-2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl]methyl]-4-(trifluoromethyl)phenyl]-4-fluorophenyl]acetate
CID 66891171
methyl 2-[3-[2-[(2-oxo-4,4a,8a,8b-tetrahydro-3aH-indeno[2,1-d][1,3]oxazol-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate
CID 162600994
(4R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-iodo-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 87542865
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
(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
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-[2-hydroxy-5-(2-methylphenyl)phenyl]-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
CID 25008128

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate (CID 67105870) is methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate is COC(=O)Cc1ccc(O)c(Oc2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3ccccc3)C2C)c1.
What is the InChIKey of methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate?
The InChIKey is FBKZXEHXJOVGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3NO6/c1-16-25(18-6-4-3-5-7-18)37-26(34)31(16)15-19-14-20(27(28,29)30)9-11-22(19)36-23-12-17(8-10-21(23)32)13-24(33)35-2/h3-12,14,16,25,32H,13,15H2,1-2H3.
What are the key properties of methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate?
methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate has a molecular weight of 515.48 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-hydroxy-3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenoxy]phenyl]acetate is sourced from PubChem (CID 67105870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).