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

C33H36F3N3O5 — CID 118600351

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

methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate (PubChem CID 118600351) has the molecular formula C33H36F3N3O5 and a molecular weight of 611.66 g/mol. Its IUPAC name is methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate.

Molecular Properties

• Compound Name: methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate
• PubChem CID: 118600351
• Molecular Formula: C33H36F3N3O5
• Molecular Weight: 611.66 g/mol
• Exact Mass: 611.26
• IUPAC Name: methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate
• SMILES: COC(=O)CCc1ccc(OC)c(-c2c(C)cc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)[C@@H]2C)c1
• InChI: InChI=1S/C33H36F3N3O5/c1-19-13-23(17-24(14-19)33(34,35)36)31-21(3)39(32(41)44-31)18-26-30(20(2)15-28(37-26)38-11-6-12-38)25-16-22(7-9-27(25)42-4)8-10-29(40)43-5/h7,9,13-17,21,31H,6,8,10-12,18H2,1-5H3/t21-,31-/m0/s1
• InChIKey: YGLMGEWELAYDCH-BGOLNKOXSA-N
• XLogP: 6.79
• TPSA: 81.20 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.66
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate?

The IUPAC name of methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate (CID 118600351) is methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate.

What is the SMILES notation for methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate?

The canonical SMILES for methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate is COC(=O)CCc1ccc(OC)c(-c2c(C)cc(N3CCC3)nc2CN2C(=O)O[C@H](c3cc(C)cc(C(F)(F)F)c3)[C@@H]2C)c1.

What is the InChIKey of methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate?

The InChIKey is YGLMGEWELAYDCH-BGOLNKOXSA-N. The full InChI is InChI=1S/C33H36F3N3O5/c1-19-13-23(17-24(14-19)33(34,35)36)31-21(3)39(32(41)44-31)18-26-30(20(2)15-28(37-26)38-11-6-12-38)25-16-22(7-9-27(25)42-4)8-10-29(40)43-5/h7,9,13-17,21,31H,6,8,10-12,18H2,1-5H3/t21-,31-/m0/s1.

What are the key properties of methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate?

methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate has a molecular weight of 611.66 g/mol, XLogP of 6.79, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[3-[6-(azetidin-1-yl)-4-methyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]-3-pyridinyl]-4-methoxyphenyl]propanoate is sourced from PubChem (CID 118600351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).