methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate

C37H34F6N2O5 — CID 87252409

IUPACmethyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate
SMILESCCCc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3C)ccc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1
InChIInChI=1S/C37H34F6N2O5/c1-6-7-27-10-12-29(30-17-22(9-13-32(30)48-4)28-11-8-23(14-20(28)2)34(46)49-5)31(44-27)19-45-21(3)33(50-35(45)47)24-15-25(36(38,39)40)18-26(16-24)37(41,42)43/h8-18,21,33H,6-7,19H2,1-5H3/t21-,33-/m0/s1
InChIKeyGNCVKWYWFGKHTQ-VTLMBFNKSA-N
MW700.68 g/mol
LogP9.59
Rot. Bonds9

About methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate

methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate (PubChem CID 87252409) has the molecular formula C37H34F6N2O5 and a molecular weight of 700.68 g/mol. Its IUPAC name is methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate
PubChem CID87252409
Molecular FormulaC37H34F6N2O5
Molecular Weight700.68 g/mol
Exact Mass700.24
IUPAC Namemethyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate
SMILESCCCc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3C)ccc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1
InChIInChI=1S/C37H34F6N2O5/c1-6-7-27-10-12-29(30-17-22(9-13-32(30)48-4)28-11-8-23(14-20(28)2)34(46)49-5)31(44-27)19-45-21(3)33(50-35(45)47)24-15-25(36(38,39)40)18-26(16-24)37(41,42)43/h8-18,21,33H,6-7,19H2,1-5H3/t21-,33-/m0/s1
InChIKeyGNCVKWYWFGKHTQ-VTLMBFNKSA-N
XLogP9.59
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.68
LogP ≤ 59.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propan-2-yl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 24969976
4-[3-[2-[[5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propan-2-yl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 74376301
4-[3-[2-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propan-2-yl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 143505564
methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,6-dimethylphenyl]-4-methoxyphenyl]-3-methylbenzoate
CID 143502056
methyl 4-[3-[6-[[(4S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-4-methoxyphenyl]-3-methylbenzoate
CID 88956420
4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(1,1-dioxo-1,2-thiazolidin-2-yl)pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 118601077
4-[3-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-(2-methylimidazol-1-yl)pyrimidin-5-yl]-4-methoxyphenyl]-3-methylbenzoic acid
CID 88581643
methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-methylsulfanylpyrimidin-5-yl]-2-fluorophenyl]-3-methylbenzoate
CID 86704620
methyl 4-[3-[4,4-dimethyl-2-[[(4R,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-3-methylbenzoate
CID 118506691
methyl 4-[3-[4,4-dimethyl-2-[[(4R,5S)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]-3-methylbenzoate
CID 118506687
methyl 4-[5-[4-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-methylsulfanylpyrimidin-5-yl]-2-fluoro-4-methoxyphenyl]-3-methylbenzoate
CID 86627638
methyl 4-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]-5-methylthiophene-2-carboxylate
CID 56970926

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate?
The IUPAC name of methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate (CID 87252409) is methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate?
The canonical SMILES for methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate is CCCc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3C)ccc2OC)c(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)n1.
What is the InChIKey of methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate?
The InChIKey is GNCVKWYWFGKHTQ-VTLMBFNKSA-N. The full InChI is InChI=1S/C37H34F6N2O5/c1-6-7-27-10-12-29(30-17-22(9-13-32(30)48-4)28-11-8-23(14-20(28)2)34(46)49-5)31(44-27)19-45-21(3)33(50-35(45)47)24-15-25(36(38,39)40)18-26(16-24)37(41,42)43/h8-18,21,33H,6-7,19H2,1-5H3/t21-,33-/m0/s1.
What are the key properties of methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate?
methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate has a molecular weight of 700.68 g/mol, XLogP of 9.59, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-6-propyl-3-pyridinyl]-4-methoxyphenyl]-3-methylbenzoate is sourced from PubChem (CID 87252409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).