diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate

C10H13NO5 — CID 10513471

IUPACdiethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c(C)o1
InChIInChI=1S/C10H13NO5/c1-4-14-9(12)7-6(3)16-8(11-7)10(13)15-5-2/h4-5H2,1-3H3
InChIKeyQPFSOEUFUZKBEW-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.34
Rot. Bonds4

About diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate

diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate (PubChem CID 10513471) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
PubChem CID10513471
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Namediethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OCC)c(C)o1
InChIInChI=1S/C10H13NO5/c1-4-14-9(12)7-6(3)16-8(11-7)10(13)15-5-2/h4-5H2,1-3H3
InChIKeyQPFSOEUFUZKBEW-UHFFFAOYSA-N
XLogP1.34
TPSA78.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(2-ethoxy-2-oxoethyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 102243359
ethyl 2-(2,5-dimethyl-1,3-oxazol-4-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 10911923
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 2-(furan-2-yl)-5-methyl-1,3-oxazole-4-carboxylate
CID 86067764
diethyl 3,4,5-trichloropyridine-2,6-dicarboxylate;ethane
CID 145166855
ethyl 2-(benzenesulfonyl)-5-methyl-1,3-oxazole-4-carboxylate
CID 142757653
ethane;ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 163295222
ethyl 2-[(E)-1-(benzenesulfonyl)-2-methylhept-1-enyl]-5-methyl-1,3-oxazole-4-carboxylate
CID 44557449
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
ethyl 5-carbamoyl-2-methyl-1,3-oxazole-4-carboxylate
CID 68802765
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403
ethyl 5-(hydroxymethyl)-1,3,4-oxadiazole-2-carboxylate
CID 131969481

Frequently Asked Questions

What is the IUPAC name of diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate?
The IUPAC name of diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate (CID 10513471) is diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate?
The canonical SMILES for diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate is CCOC(=O)c1nc(C(=O)OCC)c(C)o1.
What is the InChIKey of diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate?
The InChIKey is QPFSOEUFUZKBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-4-14-9(12)7-6(3)16-8(11-7)10(13)15-5-2/h4-5H2,1-3H3.
What are the key properties of diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate?
diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate has a molecular weight of 227.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-methyl-1,3-oxazole-2,4-dicarboxylate is sourced from PubChem (CID 10513471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).