methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate

C11H19NO5 — CID 567644

IUPACmethyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(OC(C)=O)COC1C(C)(C)C
InChIInChI=1S/C11H19NO5/c1-7(13)17-8-6-16-9(11(2,3)4)12(8)10(14)15-5/h8-9H,6H2,1-5H3
InChIKeyWGYWDIZGBRFTRE-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.35
Rot. Bonds1

About methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate

methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate (PubChem CID 567644) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate
PubChem CID567644
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(OC(C)=O)COC1C(C)(C)C
InChIInChI=1S/C11H19NO5/c1-7(13)17-8-6-16-9(11(2,3)4)12(8)10(14)15-5/h8-9H,6H2,1-5H3
InChIKeyWGYWDIZGBRFTRE-UHFFFAOYSA-N
XLogP1.35
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate (CID 567644) is methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate is COC(=O)N1C(OC(C)=O)COC1C(C)(C)C.
What is the InChIKey of methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WGYWDIZGBRFTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7(13)17-8-6-16-9(11(2,3)4)12(8)10(14)15-5/h8-9H,6H2,1-5H3.
What are the key properties of methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate?
methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 245.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyloxy-2-tert-butyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 567644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).