(4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

C28H34F3NO3 — CID 71024936

About (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one

(4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 71024936) has the molecular formula C28H34F3NO3 and a molecular weight of 489.58 g/mol. Its IUPAC name is (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 71024936
• Molecular Formula: C28H34F3NO3
• Molecular Weight: 489.58 g/mol
• Exact Mass: 489.25
• IUPAC Name: (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: CO[C@H](c1ccc(C(F)(F)F)cc1[C@H]1OC(=O)N(Cc2cc(C)cc(C)c2)[C@@H]1C)C1CCCCC1
• InChI: InChI=1S/C28H34F3NO3/c1-17-12-18(2)14-20(13-17)16-32-19(3)25(35-27(32)33)24-15-22(28(29,30)31)10-11-23(24)26(34-4)21-8-6-5-7-9-21/h10-15,19,21,25-26H,5-9,16H2,1-4H3/t19-,25+,26+/m1/s1
• InChIKey: MOCHZBQWSHXHTR-PBXQCXKZSA-N
• XLogP: 7.67
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.58
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one (CID 71024936) is (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is CO[C@H](c1ccc(C(F)(F)F)cc1[C@H]1OC(=O)N(Cc2cc(C)cc(C)c2)[C@@H]1C)C1CCCCC1.

What is the InChIKey of (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is MOCHZBQWSHXHTR-PBXQCXKZSA-N. The full InChI is InChI=1S/C28H34F3NO3/c1-17-12-18(2)14-20(13-17)16-32-19(3)25(35-27(32)33)24-15-22(28(29,30)31)10-11-23(24)26(34-4)21-8-6-5-7-9-21/h10-15,19,21,25-26H,5-9,16H2,1-4H3/t19-,25+,26+/m1/s1.

What are the key properties of (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one?

(4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 489.58 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5R)-5-[2-[(S)-cyclohexyl(methoxy)methyl]-5-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71024936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).