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

C33H36F3N3O3 — CID 126692087

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

(5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 126692087) has the molecular formula C33H36F3N3O3 and a molecular weight of 579.66 g/mol. Its IUPAC name is (5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 126692087
• Molecular Formula: C33H36F3N3O3
• Molecular Weight: 579.66 g/mol
• Exact Mass: 579.27
• IUPAC Name: (5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc(C2CCCCC2)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C1C
• InChI: InChI=1S/C33H36F3N3O3/c1-21-31(24-10-6-11-25(18-24)33(34,35)36)42-32(40)39(21)20-28-26(13-15-30(37-28)38-16-7-17-38)27-19-23(12-14-29(27)41-2)22-8-4-3-5-9-22/h6,10-15,18-19,21-22,31H,3-5,7-9,16-17,20H2,1-2H3/t21?,31-/m0/s1
• InChIKey: TWEZPSOKBCHCPD-LAUUFCHVSA-N
• XLogP: 8.12
• TPSA: 54.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.66
LogP ≤ 5	8.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 126692087) is (5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is COc1ccc(C2CCCCC2)cc1-c1ccc(N2CCC2)nc1CN1C(=O)O[C@H](c2cccc(C(F)(F)F)c2)C1C.

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

The InChIKey is TWEZPSOKBCHCPD-LAUUFCHVSA-N. The full InChI is InChI=1S/C33H36F3N3O3/c1-21-31(24-10-6-11-25(18-24)33(34,35)36)42-32(40)39(21)20-28-26(13-15-30(37-28)38-16-7-17-38)27-19-23(12-14-29(27)41-2)22-8-4-3-5-9-22/h6,10-15,18-19,21-22,31H,3-5,7-9,16-17,20H2,1-2H3/t21?,31-/m0/s1.

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

(5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 579.66 g/mol, XLogP of 8.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclohexyl-2-methoxyphenyl)-2-pyridinyl]methyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 126692087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).