dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate

C12H17NO5 — CID 102953728

IUPACdimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(C(C)C(C)C)oc1C(=O)OC
InChIInChI=1S/C12H17NO5/c1-6(2)7(3)10-13-8(11(14)16-4)9(18-10)12(15)17-5/h6-7H,1-5H3
InChIKeyLOLDKPDXKVFVGL-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.01
Rot. Bonds4

About dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate

dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953728) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953728
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Namedimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(C(C)C(C)C)oc1C(=O)OC
InChIInChI=1S/C12H17NO5/c1-6(2)7(3)10-13-8(11(14)16-4)9(18-10)12(15)17-5/h6-7H,1-5H3
InChIKeyLOLDKPDXKVFVGL-UHFFFAOYSA-N
XLogP2.01
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-methyl-1,3-oxazole-4,5-dicarboxylate
CID 104865012
dimethyl 2-(3-methoxy-2-methylpropyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953731
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
methyl 4-(methoxymethyl)-2-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371759
dimethyl 2-(methylsulfonylmethyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953729
4-tert-butyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114372866
dimethyl 2-(6-bicyclo[3.1.0]hexanyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953604
dimethyl 2-(4-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953674
2-(3-methylbutan-2-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199394
dimethyl 2-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953631
dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953719
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate (CID 102953728) is dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(C(C)C(C)C)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is LOLDKPDXKVFVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-6(2)7(3)10-13-8(11(14)16-4)9(18-10)12(15)17-5/h6-7H,1-5H3.
What are the key properties of dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 255.27 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(3-methylbutan-2-yl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).