(4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

C25H28F2N2O3 — CID 59130972

IUPAC(4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C25H28F2N2O3/c1-25(2,3)28-13-20(19-10-9-17(26)12-22(19)27)21(14-28)23(30)29-18(15-32-24(29)31)11-16-7-5-4-6-8-16/h4-10,12,18,20-21H,11,13-15H2,1-3H3/t18-,20-,21+/m0/s1
InChIKeyLOFTUVUTIATUOY-SESVDKBCSA-N
MW442.51 g/mol
LogP4.37
Rot. Bonds4

About (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 59130972) has the molecular formula C25H28F2N2O3 and a molecular weight of 442.51 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
PubChem CID59130972
Molecular FormulaC25H28F2N2O3
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name(4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one
SMILESCC(C)(C)N1C[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1
InChIInChI=1S/C25H28F2N2O3/c1-25(2,3)28-13-20(19-10-9-17(26)12-22(19)27)21(14-28)23(30)29-18(15-32-24(29)31)11-16-7-5-4-6-8-16/h4-10,12,18,20-21H,11,13-15H2,1-3H3/t18-,20-,21+/m0/s1
InChIKeyLOFTUVUTIATUOY-SESVDKBCSA-N
XLogP4.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one 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 (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one (CID 59130972) is (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is CC(C)(C)N1C[C@@H](C(=O)N2C(=O)OC[C@@H]2Cc2ccccc2)[C@H](c2ccc(F)cc2F)C1.
What is the InChIKey of (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is LOFTUVUTIATUOY-SESVDKBCSA-N. The full InChI is InChI=1S/C25H28F2N2O3/c1-25(2,3)28-13-20(19-10-9-17(26)12-22(19)27)21(14-28)23(30)29-18(15-32-24(29)31)11-16-7-5-4-6-8-16/h4-10,12,18,20-21H,11,13-15H2,1-3H3/t18-,20-,21+/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 442.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59130972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).