methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate

C43H41F6NO5 — CID 118498026

About methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate

methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate (PubChem CID 118498026) has the molecular formula C43H41F6NO5 and a molecular weight of 765.79 g/mol. Its IUPAC name is methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate.

Molecular Properties

• Compound Name: methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate
• PubChem CID: 118498026
• Molecular Formula: C43H41F6NO5
• Molecular Weight: 765.79 g/mol
• Exact Mass: 765.29
• IUPAC Name: methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate
• SMILES: COC(=O)c1ccc(-c2ccccc2)c(C)c1-c1ccc(OC)c(C2=C(CN3C(=O)O[C@@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@H]3C)CC(C)(C)CC2)c1
• InChI: InChI=1S/C43H41F6NO5/c1-24-32(26-10-8-7-9-11-26)13-14-34(39(51)54-6)37(24)27-12-15-36(53-5)35(20-27)33-16-17-41(3,4)22-29(33)23-50-25(2)38(55-40(50)52)28-18-30(42(44,45)46)21-31(19-28)43(47,48)49/h7-15,18-21,25,38H,16-17,22-23H2,1-6H3/t25-,38-/m1/s1
• InChIKey: RFLDQDZQZLJDDW-GWEXNCIJSA-N
• XLogP: 11.71
• TPSA: 65.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.79
LogP ≤ 5	11.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate?

The IUPAC name of methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate (CID 118498026) is methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate.

What is the SMILES notation for methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate?

The canonical SMILES for methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate is COC(=O)c1ccc(-c2ccccc2)c(C)c1-c1ccc(OC)c(C2=C(CN3C(=O)O[C@@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@H]3C)CC(C)(C)CC2)c1.

What is the InChIKey of methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate?

The InChIKey is RFLDQDZQZLJDDW-GWEXNCIJSA-N. The full InChI is InChI=1S/C43H41F6NO5/c1-24-32(26-10-8-7-9-11-26)13-14-34(39(51)54-6)37(24)27-12-15-36(53-5)35(20-27)33-16-17-41(3,4)22-29(33)23-50-25(2)38(55-40(50)52)28-18-30(42(44,45)46)21-31(19-28)43(47,48)49/h7-15,18-21,25,38H,16-17,22-23H2,1-6H3/t25-,38-/m1/s1.

What are the key properties of methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate?

methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate has a molecular weight of 765.79 g/mol, XLogP of 11.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[3-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4,4-dimethylcyclohexen-1-yl]-4-methoxyphenyl]-3-methyl-4-phenylbenzoate is sourced from PubChem (CID 118498026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).