[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C36H53N3O6 — CID 134973276

IUPAC[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](CC[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C36H53N3O6/c1-27(45-32(41)39-34(4,5)26-44-36(39,8)9)20-21-30(24-42-31(40)38-33(2,3)25-43-35(38,6)7)37(22-28-16-12-10-13-17-28)23-29-18-14-11-15-19-29/h10-19,27,30H,20-26H2,1-9H3/t27-,30-/m0/s1
InChIKeyBXXJLVLBXZKSEQ-FIBWVYCGSA-N
MW623.84 g/mol
LogP7.19
Rot. Bonds11

About [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134973276) has the molecular formula C36H53N3O6 and a molecular weight of 623.84 g/mol. Its IUPAC name is [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134973276
Molecular FormulaC36H53N3O6
Molecular Weight623.84 g/mol
Exact Mass623.39
IUPAC Name[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H](CC[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C36H53N3O6/c1-27(45-32(41)39-34(4,5)26-44-36(39,8)9)20-21-30(24-42-31(40)38-33(2,3)25-43-35(38,6)7)37(22-28-16-12-10-13-17-28)23-29-18-14-11-15-19-29/h10-19,27,30H,20-26H2,1-9H3/t27-,30-/m0/s1
InChIKeyBXXJLVLBXZKSEQ-FIBWVYCGSA-N
XLogP7.19
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.84
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

[(2R)-3-cyclopropyl-2-(dibenzylamino)propyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 102092048
[(2R,4S)-4-(dibenzylamino)-5-trityloxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100917217
[(2R,3S)-3-(dibenzylamino)-5-methylhexan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 14945800
[(3S)-3-(dibenzylamino)-5-oxo-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyheptyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134924728
[(2S,3R)-3-(dibenzylamino)-1-methoxy-1-oxopentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 101080526
benzyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19783758
[(2S,3S,4S,5S)-1,6-dicyclohexyl-2,5-bis(dibenzylamino)-4-hydroxyhexan-3-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 24799089
[(1S,2S)-2,5-bis(dibenzylamino)-1-tributylstannylpentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134905626
ethyl 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 19755076
[(1R,2R,3S)-2-benzyl-3-(dibenzylamino)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 135054445
[(2R)-4-(2-methoxyphenyl)-1-oxo-1-phenylbutan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 134905351
[(1R,2E)-2-benzylidene-3-(dibenzylamino)cyclopentyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
CID 100951874

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134973276) is [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is C[C@@H](CC[C@@H](COC(=O)N1C(C)(C)COC1(C)C)N(Cc1ccccc1)Cc1ccccc1)OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BXXJLVLBXZKSEQ-FIBWVYCGSA-N. The full InChI is InChI=1S/C36H53N3O6/c1-27(45-32(41)39-34(4,5)26-44-36(39,8)9)20-21-30(24-42-31(40)38-33(2,3)25-43-35(38,6)7)37(22-28-16-12-10-13-17-28)23-29-18-14-11-15-19-29/h10-19,27,30H,20-26H2,1-9H3/t27-,30-/m0/s1.
What are the key properties of [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 623.84 g/mol, XLogP of 7.19, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2-(dibenzylamino)-5-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxyhexyl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134973276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).