tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C18H26N2O3 — CID 11347712

IUPACtert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](/C=N/Cc2ccccc2)COC1(C)C
InChIInChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-15(13-22-18(20,4)5)12-19-11-14-9-7-6-8-10-14/h6-10,12,15H,11,13H2,1-5H3/b19-12+/t15-/m0/s1
InChIKeyYEJSJYASAWLTIR-UZUMKDMXSA-N
MW318.42 g/mol
LogP3.63
Rot. Bonds3

About tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11347712) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11347712
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Nametert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](/C=N/Cc2ccccc2)COC1(C)C
InChIInChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-15(13-22-18(20,4)5)12-19-11-14-9-7-6-8-10-14/h6-10,12,15H,11,13H2,1-5H3/b19-12+/t15-/m0/s1
InChIKeyYEJSJYASAWLTIR-UZUMKDMXSA-N
XLogP3.63
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl (4S)-4-(benzyliminomethyl)-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

(R)-3-(4-((cyclohexyl(methyl)amino)methyl)benzyl)-5-methyloxazolidin-2-one
CID 44591685
(4S)-3-benzyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10704100
N-benzyl-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanimine oxide
CID 11748727
3-Benzyl-4-methyl-1,3-oxazolidin-2-one
CID 12146637
Tert-butyl 3-benzylimino-4-fluoropyrrolidine-1-carboxylate
CID 123664043
tert-butyl (2S,4S)-4-fluoro-2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]pyrrolidine-1-carboxylate
CID 142695667
benzyl-[[(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]methylidene]-methylazanium
CID 169937979
tert-butyl (4R)-2,2-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1,3-oxazolidine-3-carboxylate
CID 10758741
N-benzyl-1-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
CID 11110418
tert-butyl (E)-2,2-dimethyl-4-(4-phenylbut-1-en-1-yl)oxazolidine-3-carboxylate
CID 14827595
N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
CID 15441177
N-benzyl-1-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
CID 24755424

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11347712) is tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](/C=N/Cc2ccccc2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YEJSJYASAWLTIR-UZUMKDMXSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-17(2,3)23-16(21)20-15(13-22-18(20,4)5)12-19-11-14-9-7-6-8-10-14/h6-10,12,15H,11,13H2,1-5H3/b19-12+/t15-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 318.42 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11347712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).