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

C27H24F3NO4 — CID 66891382

IUPACmethyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-c2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3ccccc3)C2C)c1
InChIInChI=1S/C27H24F3NO4/c1-17-25(19-8-4-3-5-9-19)35-26(33)31(17)16-21-15-22(27(28,29)30)11-12-23(21)20-10-6-7-18(13-20)14-24(32)34-2/h3-13,15,17,25H,14,16H2,1-2H3
InChIKeyVGWFRGYMXKCATE-UHFFFAOYSA-N
MW483.49 g/mol
LogP6.17
Rot. Bonds6

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

methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate (PubChem CID 66891382) has the molecular formula C27H24F3NO4 and a molecular weight of 483.49 g/mol. Its IUPAC name is methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
PubChem CID66891382
Molecular FormulaC27H24F3NO4
Molecular Weight483.49 g/mol
Exact Mass483.17
IUPAC Namemethyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate
SMILESCOC(=O)Cc1cccc(-c2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3ccccc3)C2C)c1
InChIInChI=1S/C27H24F3NO4/c1-17-25(19-8-4-3-5-9-19)35-26(33)31(17)16-21-15-22(27(28,29)30)11-12-23(21)20-10-6-7-18(13-20)14-24(32)34-2/h3-13,15,17,25H,14,16H2,1-2H3
InChIKeyVGWFRGYMXKCATE-UHFFFAOYSA-N
XLogP6.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate with MolForge

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Related Compounds

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
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
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
(4S,5R)-5-[3-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[[2-(3-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
CID 59135161
(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
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-[[(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
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 4-[5-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylphenyl]-2-fluorophenyl]benzoate
CID 143502117
methyl 4-[2-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]-3-methylbenzoate
CID 86630553
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
The IUPAC name of methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate (CID 66891382) is methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
The canonical SMILES for methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate is COC(=O)Cc1cccc(-c2ccc(C(F)(F)F)cc2CN2C(=O)OC(c3ccccc3)C2C)c1.
What is the InChIKey of methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
The InChIKey is VGWFRGYMXKCATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3NO4/c1-17-25(19-8-4-3-5-9-19)35-26(33)31(17)16-21-15-22(27(28,29)30)11-12-23(21)20-10-6-7-18(13-20)14-24(32)34-2/h3-13,15,17,25H,14,16H2,1-2H3.
What are the key properties of methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate?
methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate has a molecular weight of 483.49 g/mol, XLogP of 6.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-[(4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl)methyl]-4-(trifluoromethyl)phenyl]phenyl]acetate is sourced from PubChem (CID 66891382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).