tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C25H33NO7 — CID 11775522

IUPACtert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@H](C(=O)c2ccccc2)[C@H]1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C25H33NO7/c1-8-30-22(28)18-15(2)32-21(20(27)16-12-10-9-11-13-16)19(18)17-14-31-25(6,7)26(17)23(29)33-24(3,4)5/h9-13,17,19,21H,8,14H2,1-7H3/t17-,19-,21-/m0/s1
InChIKeyFGFDWSJEGGUHLM-CUWPLCDZSA-N
MW459.54 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11775522) has the molecular formula C25H33NO7 and a molecular weight of 459.54 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11775522
Molecular FormulaC25H33NO7
Molecular Weight459.54 g/mol
Exact Mass459.23
IUPAC Nametert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCCOC(=O)C1=C(C)O[C@H](C(=O)c2ccccc2)[C@H]1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C25H33NO7/c1-8-30-22(28)18-15(2)32-21(20(27)16-12-10-9-11-13-16)19(18)17-14-31-25(6,7)26(17)23(29)33-24(3,4)5/h9-13,17,19,21H,8,14H2,1-7H3/t17-,19-,21-/m0/s1
InChIKeyFGFDWSJEGGUHLM-CUWPLCDZSA-N
XLogP4.09
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-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 (4R)-2,2-dimethyl-4-(4-phenylmethoxybenzoyl)-1,3-oxazolidine-3-carboxylate
CID 11101682
tert-butyl (4R)-4-[(3S,5S)-2-benzyl-5-methoxycarbonyl-1,2-oxazolidin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11567970
tert-butyl (4S)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 15850664
tert-butyl (4R)-2,2-dimethyl-4-(2-phenylethyl)-1,3-oxazolidine-3-carboxylate
CID 10990397
tert-butyl 4-[[5-ethoxycarbonyl-3-(phenoxymethyl)pyrazol-1-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 70654326
tert-butyl (2R)-2-benzoyl-4,4-dimethyl-1,3-oxazolidine-3-carboxylate
CID 124705218
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
tert-butyl (4S)-4-(3-ethoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91092625
tert-butyl (4S)-4-[(S)-(1,2,3,4,5,6-13C6)cyclohexatrienyl(hydroxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 169442028
tert-butyl (4S)-2,2-dimethyl-4-[(2R)-oxiran-2-yl]-1,3-oxazolidine-3-carboxylate
CID 11042946
tert-butyl 2,2-dimethyl-4-[(N-methylanilino)methyl]-1,3-oxazolidine-3-carboxylate
CID 67271529
tert-butyl (4S)-4-[(2R)-2-hydroxy-2-phenylethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 91369582

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11775522) is tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CCOC(=O)C1=C(C)O[C@H](C(=O)c2ccccc2)[C@H]1[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is FGFDWSJEGGUHLM-CUWPLCDZSA-N. The full InChI is InChI=1S/C25H33NO7/c1-8-30-22(28)18-15(2)32-21(20(27)16-12-10-9-11-13-16)19(18)17-14-31-25(6,7)26(17)23(29)33-24(3,4)5/h9-13,17,19,21H,8,14H2,1-7H3/t17-,19-,21-/m0/s1.
What are the key properties of tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 459.54 g/mol, XLogP of 4.09, 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-[(2S,3R)-2-benzoyl-4-ethoxycarbonyl-5-methyl-2,3-dihydrofuran-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11775522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).