methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate

C35H37F3N2O5 — CID 122691266

About methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate

methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate (PubChem CID 122691266) has the molecular formula C35H37F3N2O5 and a molecular weight of 622.68 g/mol. Its IUPAC name is methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate
• PubChem CID: 122691266
• Molecular Formula: C35H37F3N2O5
• Molecular Weight: 622.68 g/mol
• Exact Mass: 622.27
• IUPAC Name: methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate
• SMILES: COC(=O)c1ccc(-c2ccc(OC)c(C3=C(CN4C(=O)O[C@H](c5cc(C)cc(C(F)(F)F)c5)[C@@H]4C)CC(C)(C)CC3)c2)cn1
• InChI: InChI=1S/C35H37F3N2O5/c1-20-13-24(15-26(14-20)35(36,37)38)31-21(2)40(33(42)45-31)19-25-17-34(3,4)12-11-27(25)28-16-22(8-10-30(28)43-5)23-7-9-29(39-18-23)32(41)44-6/h7-10,13-16,18,21,31H,11-12,17,19H2,1-6H3/t21-,31-/m0/s1
• InChIKey: LZLGCVAZHNORAO-BGOLNKOXSA-N
• XLogP: 8.42
• TPSA: 77.96 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.68
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate?

The IUPAC name of methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate (CID 122691266) is methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate.

What is the SMILES notation for methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate?

The canonical SMILES for methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate is COC(=O)c1ccc(-c2ccc(OC)c(C3=C(CN4C(=O)O[C@H](c5cc(C)cc(C(F)(F)F)c5)[C@@H]4C)CC(C)(C)CC3)c2)cn1.

What is the InChIKey of methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate?

The InChIKey is LZLGCVAZHNORAO-BGOLNKOXSA-N. The full InChI is InChI=1S/C35H37F3N2O5/c1-20-13-24(15-26(14-20)35(36,37)38)31-21(2)40(33(42)45-31)19-25-17-34(3,4)12-11-27(25)28-16-22(8-10-30(28)43-5)23-7-9-29(39-18-23)32(41)44-6/h7-10,13-16,18,21,31H,11-12,17,19H2,1-6H3/t21-,31-/m0/s1.

What are the key properties of methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate?

methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate has a molecular weight of 622.68 g/mol, XLogP of 8.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[3-[4,4-dimethyl-2-[[(4S,5R)-4-methyl-5-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]cyclohexen-1-yl]-4-methoxyphenyl]pyridine-2-carboxylate is sourced from PubChem (CID 122691266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).