tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate

C22H30N2O6S — CID 118192848

IUPACtert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate
SMILESCO[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H]1CSCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O6S/c1-14(18(28-5)17-12-31-13-23(17)20(26)30-22(2,3)4)19(25)24-16(11-29-21(24)27)15-9-7-6-8-10-15/h6-10,14,16-18H,11-13H2,1-5H3/t14-,16+,17+,18-/m1/s1
InChIKeyQZJPKZSKLMBXTO-LAVFITLUSA-N
MW450.56 g/mol
LogP3.67
Rot. Bonds5

About tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate

tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate (PubChem CID 118192848) has the molecular formula C22H30N2O6S and a molecular weight of 450.56 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate
PubChem CID118192848
Molecular FormulaC22H30N2O6S
Molecular Weight450.56 g/mol
Exact Mass450.18
IUPAC Nametert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate
SMILESCO[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H]1CSCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H30N2O6S/c1-14(18(28-5)17-12-31-13-23(17)20(26)30-22(2,3)4)19(25)24-16(11-29-21(24)27)15-9-7-6-8-10-15/h6-10,14,16-18H,11-13H2,1-5H3/t14-,16+,17+,18-/m1/s1
InChIKeyQZJPKZSKLMBXTO-LAVFITLUSA-N
XLogP3.67
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-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 (2S,4S)-4-formyloxy-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
CID 118192982
tert-butyl 2-[(1R,2R)-1-hydroxy-2-methyl-3-oxo-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)propyl]pyrrolidine-1-carboxylate
CID 118193058
tert-butyl 4,5-dimethyl-3-(2-oxo-4-phenyl-1,3-oxazolidine-3-carbonyl)hexanoate
CID 21358821
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
(2R,3R)-1,4-bis[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2,3-diphenylbutane-1,4-dione
CID 10482928
3-[(2R)-2-methyl-3-phenylpropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 145030895
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 144592023
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
(4S)-3-[(2S,3R)-2-bromo-3-phenylbutanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10023128
3-(2-methylhept-4-ynoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 123161521
3-(3-hydroxy-2-methyl-3-pyrrolidin-2-ylpropanoyl)-4-phenyl-1,3-oxazolidin-2-one;methanol
CID 144592022
(4R)-3-[(2R,3S)-3-hydroxy-2-methylnonanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10936532

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate (CID 118192848) is tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate is CO[C@H]([C@@H](C)C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@@H]1CSCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate?
The InChIKey is QZJPKZSKLMBXTO-LAVFITLUSA-N. The full InChI is InChI=1S/C22H30N2O6S/c1-14(18(28-5)17-12-31-13-23(17)20(26)30-22(2,3)4)19(25)24-16(11-29-21(24)27)15-9-7-6-8-10-15/h6-10,14,16-18H,11-13H2,1-5H3/t14-,16+,17+,18-/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate?
tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate has a molecular weight of 450.56 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]propyl]-1,3-thiazolidine-3-carboxylate is sourced from PubChem (CID 118192848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).