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

C15H15NO5 — CID 102953679

IUPACdimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccc(C)c2C)oc1C(=O)OC
InChIInChI=1S/C15H15NO5/c1-8-6-5-7-10(9(8)2)13-16-11(14(17)19-3)12(21-13)15(18)20-4/h5-7H,1-4H3
InChIKeyLKZGUPNIAMPAGZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.53
Rot. Bonds3

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

dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate (PubChem CID 102953679) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
PubChem CID102953679
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Namedimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate
SMILESCOC(=O)c1nc(-c2cccc(C)c2C)oc1C(=O)OC
InChIInChI=1S/C15H15NO5/c1-8-6-5-7-10(9(8)2)13-16-11(14(17)19-3)12(21-13)15(18)20-4/h5-7H,1-4H3
InChIKeyLKZGUPNIAMPAGZ-UHFFFAOYSA-N
XLogP2.53
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 2-(2-chloro-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953690
dimethyl 2-(2-methyl-3-pyridinyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953601
dimethyl 2-(2-bromo-3-fluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953717
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652
dimethyl 2-(3-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953608
dimethyl 2-(3-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953612
methyl 2-(2,3-dimethylphenyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 115422349
dimethyl 2-(4-bromo-3-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953735
dimethyl 2-(3-bromo-4-methylphenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953733
dimethyl 2-(4-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953674
dimethyl 2-(5-bromofuran-2-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953719
dimethyl 2-(5-methylfuran-3-yl)-1,3-oxazole-4,5-dicarboxylate
CID 102953751

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate (CID 102953679) is dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate is COC(=O)c1nc(-c2cccc(C)c2C)oc1C(=O)OC.
What is the InChIKey of dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate?
The InChIKey is LKZGUPNIAMPAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-8-6-5-7-10(9(8)2)13-16-11(14(17)19-3)12(21-13)15(18)20-4/h5-7H,1-4H3.
What are the key properties of dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate?
dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate has a molecular weight of 289.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-(2,3-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylate is sourced from PubChem (CID 102953679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).