dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate

C13H15NO5 — CID 102953604

IUPACdimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(C2C3CCCC32)oc1C(=O)OC
InChIInChI=1S/C13H15NO5/c1-17-12(15)9-10(13(16)18-2)19-11(14-9)8-6-4-3-5-7(6)8/h6-8H,3-5H2,1-2H3
InChIKeyRIPVSGBTMFWJHS-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.76
Rot. Bonds3

About dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953604) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953604
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namedimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(C2C3CCCC32)oc1C(=O)OC
InChIInChI=1S/C13H15NO5/c1-17-12(15)9-10(13(16)18-2)19-11(14-9)8-6-4-3-5-7(6)8/h6-8H,3-5H2,1-2H3
InChIKeyRIPVSGBTMFWJHS-UHFFFAOYSA-N
XLogP1.76
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate (CID 102953604) is dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(C2C3CCCC32)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is RIPVSGBTMFWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-17-12(15)9-10(13(16)18-2)19-11(14-9)8-6-4-3-5-7(6)8/h6-8H,3-5H2,1-2H3.
What are the key properties of dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).