dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate

C19H33NO6 — CID 544299

IUPACdimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1C(CC(O)C2CCCCC2)OC(C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C19H33NO6/c1-19(2,3)17-20(18(23)25-5)15(16(22)24-4)14(26-17)11-13(21)12-9-7-6-8-10-12/h12-15,17,21H,6-11H2,1-5H3
InChIKeyJDSUKGWIURZZTN-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.70
Rot. Bonds4

About dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate

dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate (PubChem CID 544299) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate
PubChem CID544299
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Namedimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate
SMILESCOC(=O)C1C(CC(O)C2CCCCC2)OC(C(C)(C)C)N1C(=O)OC
InChIInChI=1S/C19H33NO6/c1-19(2,3)17-20(18(23)25-5)15(16(22)24-4)14(26-17)11-13(21)12-9-7-6-8-10-12/h12-15,17,21H,6-11H2,1-5H3
InChIKeyJDSUKGWIURZZTN-UHFFFAOYSA-N
XLogP2.70
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate?
The IUPAC name of dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate (CID 544299) is dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate.
What is the SMILES notation for dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate?
The canonical SMILES for dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate is COC(=O)C1C(CC(O)C2CCCCC2)OC(C(C)(C)C)N1C(=O)OC.
What is the InChIKey of dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate?
The InChIKey is JDSUKGWIURZZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO6/c1-19(2,3)17-20(18(23)25-5)15(16(22)24-4)14(26-17)11-13(21)12-9-7-6-8-10-12/h12-15,17,21H,6-11H2,1-5H3.
What are the key properties of dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate?
dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate has a molecular weight of 371.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-tert-butyl-5-(2-cyclohexyl-2-hydroxyethyl)-1,3-oxazolidine-3,4-dicarboxylate is sourced from PubChem (CID 544299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).