tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate

C29H35ClN2O5 — CID 66845535

IUPACtert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)c2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C29H35ClN2O5/c1-28(2,3)37-27(35)32-23(15-16-29(32,4)5)24(20-11-13-21(30)14-12-20)25(33)31-22(18-36-26(31)34)17-19-9-7-6-8-10-19/h6-14,22-24H,15-18H2,1-5H3/t22-,23+,24+/m1/s1
InChIKeyHWDNUUMVUBXMBY-SGNDLWITSA-N
MW527.06 g/mol
LogP6.19
Rot. Bonds5

About tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate

tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 66845535) has the molecular formula C29H35ClN2O5 and a molecular weight of 527.06 g/mol. Its IUPAC name is tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID66845535
Molecular FormulaC29H35ClN2O5
Molecular Weight527.06 g/mol
Exact Mass526.22
IUPAC Nametert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)c2ccc(Cl)cc2)CCC1(C)C
InChIInChI=1S/C29H35ClN2O5/c1-28(2,3)37-27(35)32-23(15-16-29(32,4)5)24(20-11-13-21(30)14-12-20)25(33)31-22(18-36-26(31)34)17-19-9-7-6-8-10-19/h6-14,22-24H,15-18H2,1-5H3/t22-,23+,24+/m1/s1
InChIKeyHWDNUUMVUBXMBY-SGNDLWITSA-N
XLogP6.19
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.06
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-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

Related Compounds

tert-butyl 2-[(1S)-2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-(4-chlorophenyl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 66845409
tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate
CID 86705538
tert-butyl (4S)-4-[(2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59043343
tert-butyl (4S)-4-[3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;ethane
CID 142046249
tert-butyl (3S)-3-[(2R)-1-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-1-oxopropan-2-yl]pyrrolidine-1-carboxylate
CID 176826601
[(3R)-1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-(4-chlorophenyl)-4,4-dimethyl-1-oxopentan-3-yl]-propan-2-ylcarbamic acid
CID 66618177
(4R)-4-benzyl-3-[(2S)-2-(4-chlorophenyl)-3-(propan-2-ylamino)propanoyl]-1,3-oxazolidin-2-one
CID 155077367
tert-butyl (4R)-4-[(E)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxoprop-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 45142147
tert-butyl 2-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-methyl-3-oxopropyl]piperidine-1-carboxylate
CID 102582673
tert-butyl 3-(4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl)-4,4-dimethylpentanoate
CID 20802578
(4S)-4-benzyl-3-[2-phenyl-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyacetyl]-1,3-oxazolidin-2-one
CID 10765976
tert-butyl (4R)-4-[(E,3R,4R,5R,6R)-7-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3,5-dihydroxy-2,4,6-trimethyl-7-oxohept-1-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 52916329

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate (CID 66845535) is tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1[C@H]([C@@H](C(=O)N2C(=O)OC[C@H]2Cc2ccccc2)c2ccc(Cl)cc2)CCC1(C)C.
What is the InChIKey of tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is HWDNUUMVUBXMBY-SGNDLWITSA-N. The full InChI is InChI=1S/C29H35ClN2O5/c1-28(2,3)37-27(35)32-23(15-16-29(32,4)5)24(20-11-13-21(30)14-12-20)25(33)31-22(18-36-26(31)34)17-19-9-7-6-8-10-19/h6-14,22-24H,15-18H2,1-5H3/t22-,23+,24+/m1/s1.
What are the key properties of tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate?
tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 527.06 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-5-[(1S)-2-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-1-(4-chlorophenyl)-2-oxoethyl]-2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 66845535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).