3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one

C24H25ClF3NO6 — CID 159432461

About 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one

3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one (PubChem CID 159432461) has the molecular formula C24H25ClF3NO6 and a molecular weight of 515.91 g/mol. Its IUPAC name is 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one
• PubChem CID: 159432461
• Molecular Formula: C24H25ClF3NO6
• Molecular Weight: 515.91 g/mol
• Exact Mass: 515.13
• IUPAC Name: 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one
• SMILES: O=C(CC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C24H25ClF3NO6/c25-13-1-2-18-15(5-13)16(30)6-19(33-18)17(31)7-22-9-23(10-22,11-22)29-8-20(34-21(29)32)12-3-14(4-12)35-24(26,27)28/h1-2,5,12,14,16,19-20,30H,3-4,6-11H2/t12?,14?,16-,19-,20?,22?,23?/m1/s1
• InChIKey: LRDSBGPYSWQMSO-NKTVQMEDSA-N
• XLogP: 4.54
• TPSA: 85.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.91
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one (CID 159432461) is 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one is O=C(CC12CC(N3CC(C4CC(OC(F)(F)F)C4)OC3=O)(C1)C2)[C@H]1C[C@@H](O)c2cc(Cl)ccc2O1.

What is the InChIKey of 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one?

The InChIKey is LRDSBGPYSWQMSO-NKTVQMEDSA-N. The full InChI is InChI=1S/C24H25ClF3NO6/c25-13-1-2-18-15(5-13)16(30)6-19(33-18)17(31)7-22-9-23(10-22,11-22)29-8-20(34-21(29)32)12-3-14(4-12)35-24(26,27)28/h1-2,5,12,14,16,19-20,30H,3-4,6-11H2/t12?,14?,16-,19-,20?,22?,23?/m1/s1.

What are the key properties of 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one?

3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one has a molecular weight of 515.91 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159432461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).