[(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

C21H38N2O6 — CID 134997619

IUPAC[(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@H](C[C@H](C)OC(=O)N1C(C)(C)COC1(C)C)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C21H38N2O6/c1-14(28-16(24)22-18(3,4)12-26-20(22,7)8)11-15(2)29-17(25)23-19(5,6)13-27-21(23,9)10/h14-15H,11-13H2,1-10H3/t14-,15+
InChIKeyMSQNWLKMTFDKKS-GASCZTMLSA-N
MW414.54 g/mol
LogP4.12
Rot. Bonds4

About [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate

[(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134997619) has the molecular formula C21H38N2O6 and a molecular weight of 414.54 g/mol. Its IUPAC name is [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134997619
Molecular FormulaC21H38N2O6
Molecular Weight414.54 g/mol
Exact Mass414.27
IUPAC Name[(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@H](C[C@H](C)OC(=O)N1C(C)(C)COC1(C)C)OC(=O)N1C(C)(C)COC1(C)C
InChIInChI=1S/C21H38N2O6/c1-14(28-16(24)22-18(3,4)12-26-20(22,7)8)11-15(2)29-17(25)23-19(5,6)13-27-21(23,9)10/h14-15H,11-13H2,1-10H3/t14-,15+
InChIKeyMSQNWLKMTFDKKS-GASCZTMLSA-N
XLogP4.12
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate (CID 134997619) is [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is C[C@H](C[C@H](C)OC(=O)N1C(C)(C)COC1(C)C)OC(=O)N1C(C)(C)COC1(C)C.
What is the InChIKey of [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is MSQNWLKMTFDKKS-GASCZTMLSA-N. The full InChI is InChI=1S/C21H38N2O6/c1-14(28-16(24)22-18(3,4)12-26-20(22,7)8)11-15(2)29-17(25)23-19(5,6)13-27-21(23,9)10/h14-15H,11-13H2,1-10H3/t14-,15+.
What are the key properties of [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate?
[(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 414.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-(2,2,4,4-tetramethyl-1,3-oxazolidine-3-carbonyl)oxypentan-2-yl] 2,2,4,4-tetramethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134997619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).