tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate

C24H32F2N2O6 — CID 59167994

IUPACtert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate
SMILESCCCO[C@@H]1C[C@H]([C@H]2OC(=O)N(C(C)=O)[C@H]2Cc2cc(F)cc(F)c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H32F2N2O6/c1-6-7-32-18-12-19(27(13-18)22(30)34-24(3,4)5)21-20(28(14(2)29)23(31)33-21)10-15-8-16(25)11-17(26)9-15/h8-9,11,18-21H,6-7,10,12-13H2,1-5H3/t18-,19-,20+,21-/m1/s1
InChIKeyKNOLMCYXVJZRHK-MXEMCNAFSA-N
MW482.52 g/mol
LogP4.05
Rot. Bonds6

About tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate

tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate (PubChem CID 59167994) has the molecular formula C24H32F2N2O6 and a molecular weight of 482.52 g/mol. Its IUPAC name is tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate
PubChem CID59167994
Molecular FormulaC24H32F2N2O6
Molecular Weight482.52 g/mol
Exact Mass482.22
IUPAC Nametert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate
SMILESCCCO[C@@H]1C[C@H]([C@H]2OC(=O)N(C(C)=O)[C@H]2Cc2cc(F)cc(F)c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C24H32F2N2O6/c1-6-7-32-18-12-19(27(13-18)22(30)34-24(3,4)5)21-20(28(14(2)29)23(31)33-21)10-15-8-16(25)11-17(26)9-15/h8-9,11,18-21H,6-7,10,12-13H2,1-5H3/t18-,19-,20+,21-/m1/s1
InChIKeyKNOLMCYXVJZRHK-MXEMCNAFSA-N
XLogP4.05
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate (CID 59167994) is tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate is CCCO[C@@H]1C[C@H]([C@H]2OC(=O)N(C(C)=O)[C@H]2Cc2cc(F)cc(F)c2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate?
The InChIKey is KNOLMCYXVJZRHK-MXEMCNAFSA-N. The full InChI is InChI=1S/C24H32F2N2O6/c1-6-7-32-18-12-19(27(13-18)22(30)34-24(3,4)5)21-20(28(14(2)29)23(31)33-21)10-15-8-16(25)11-17(26)9-15/h8-9,11,18-21H,6-7,10,12-13H2,1-5H3/t18-,19-,20+,21-/m1/s1.
What are the key properties of tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate?
tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate has a molecular weight of 482.52 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4R)-2-[(4S,5R)-3-acetyl-4-[(3,5-difluorophenyl)methyl]-2-oxo-1,3-oxazolidin-5-yl]-4-propoxypyrrolidine-1-carboxylate is sourced from PubChem (CID 59167994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).