N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide

C19H28N2O4 — CID 15441177

IUPACN-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
SMILESC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C19H28N2O4/c1-14-16(13-20(23)12-15-10-8-7-9-11-15)21(19(5,6)24-14)17(22)25-18(2,3)4/h7-11,13-14,16H,12H2,1-6H3/b20-13-/t14-,16-/m1/s1
InChIKeyPPEYLMNZKUZRSP-ZSHPBSSGSA-N
MW348.44 g/mol
LogP3.53
Rot. Bonds3

About N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide

N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide (PubChem CID 15441177) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
PubChem CID15441177
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC NameN-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
SMILESC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1/C=[N+](\[O-])Cc1ccccc1
InChIInChI=1S/C19H28N2O4/c1-14-16(13-20(23)12-15-10-8-7-9-11-15)21(19(5,6)24-14)17(22)25-18(2,3)4/h7-11,13-14,16H,12H2,1-6H3/b20-13-/t14-,16-/m1/s1
InChIKeyPPEYLMNZKUZRSP-ZSHPBSSGSA-N
XLogP3.53
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide 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

N-benzyl-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanimine oxide
CID 11748727
tert-butyl (4R)-4-[(1S)-1-[benzyl(hydroxy)amino]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10948103
N-benzyl-1-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
CID 11110418
tert-butyl (4S)-4-(benzyliminomethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11347712
N-benzyl-1-[(2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methanimine oxide
CID 11734396
N-benzyl-1-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide
CID 24755424
tert-butyl (4S,5S)-4-(benzyliminomethyl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 134874320
Tert-butyl 4-[4-[benzyl(hydroxy)amino]pent-2-ynoyloxy]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134877563
tert-butyl (4R)-4-[4-[benzyl(hydroxy)amino]pent-2-ynoyloxy]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134925340
lithium 2-benzyl-3-[(4R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]-4-methyl-3H-1,2-oxazol-5-olate
CID 164670015
tert-butyl (2S)-2-(benzyliminomethyl)pyrrolidine-1-carboxylate
CID 10869946
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(1R)-1-phenylethyl]iminopropyl]amino]acetate
CID 44603980

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide?
The IUPAC name of N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide (CID 15441177) is N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide.
What is the SMILES notation for N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide?
The canonical SMILES for N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide is C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1/C=[N+](\[O-])Cc1ccccc1.
What is the InChIKey of N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide?
The InChIKey is PPEYLMNZKUZRSP-ZSHPBSSGSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-14-16(13-20(23)12-15-10-8-7-9-11-15)21(19(5,6)24-14)17(22)25-18(2,3)4/h7-11,13-14,16H,12H2,1-6H3/b20-13-/t14-,16-/m1/s1.
What are the key properties of N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide?
N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide has a molecular weight of 348.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(4R,5R)-2,2,5-trimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]methanimine oxide is sourced from PubChem (CID 15441177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).