3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate

C12H21NO5 — CID 90062280

IUPAC3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)O1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-7-8(9(14)16-6)17-12(13,4)5/h8H,7H2,1-6H3
InChIKeyRSQHRHJTNDOFGS-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.53
Rot. Bonds1

About 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate

3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate (PubChem CID 90062280) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate.

Molecular Properties

Compound Name3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
PubChem CID90062280
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate
SMILESCOC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)O1
InChIInChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-7-8(9(14)16-6)17-12(13,4)5/h8H,7H2,1-6H3
InChIKeyRSQHRHJTNDOFGS-UHFFFAOYSA-N
XLogP1.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate?
The IUPAC name of 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate (CID 90062280) is 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate.
What is the SMILES notation for 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate?
The canonical SMILES for 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate is COC(=O)C1CN(C(=O)OC(C)(C)C)C(C)(C)O1.
What is the InChIKey of 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate?
The InChIKey is RSQHRHJTNDOFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-7-8(9(14)16-6)17-12(13,4)5/h8H,7H2,1-6H3.
What are the key properties of 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate?
3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate has a molecular weight of 259.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-tert-butyl 5-O-methyl 2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate is sourced from PubChem (CID 90062280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).