dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate

C13H12N2O5 — CID 102953601

IUPACdimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccnc2C)oc1C(=O)OC
InChIInChI=1S/C13H12N2O5/c1-7-8(5-4-6-14-7)11-15-9(12(16)18-2)10(20-11)13(17)19-3/h4-6H,1-3H3
InChIKeyZFWTZODQRCJJDA-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.62
Rot. Bonds3

About dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953601) has the molecular formula C13H12N2O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953601
Molecular FormulaC13H12N2O5
Molecular Weight276.25 g/mol
Exact Mass276.07
IUPAC Namedimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccnc2C)oc1C(=O)OC
InChIInChI=1S/C13H12N2O5/c1-7-8(5-4-6-14-7)11-15-9(12(16)18-2)10(20-11)13(17)19-3/h4-6H,1-3H3
InChIKeyZFWTZODQRCJJDA-UHFFFAOYSA-N
XLogP1.62
TPSA91.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate (CID 102953601) is dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(-c2cccnc2C)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is ZFWTZODQRCJJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5/c1-7-8(5-4-6-14-7)11-15-9(12(16)18-2)10(20-11)13(17)19-3/h4-6H,1-3H3.
What are the key properties of dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 276.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).