ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate

C9H13NO4 — CID 102317194

IUPACethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1CCO
InChIInChI=1S/C9H13NO4/c1-3-13-9(12)8-7(4-5-11)6(2)14-10-8/h11H,3-5H2,1-2H3
InChIKeyVXDFXYOWKRBKNW-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.69
Rot. Bonds4

About ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate

ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate (PubChem CID 102317194) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
PubChem CID102317194
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Nameethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1CCO
InChIInChI=1S/C9H13NO4/c1-3-13-9(12)8-7(4-5-11)6(2)14-10-8/h11H,3-5H2,1-2H3
InChIKeyVXDFXYOWKRBKNW-UHFFFAOYSA-N
XLogP0.69
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate (CID 102317194) is ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C)c1CCO.
What is the InChIKey of ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate?
The InChIKey is VXDFXYOWKRBKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-3-13-9(12)8-7(4-5-11)6(2)14-10-8/h11H,3-5H2,1-2H3.
What are the key properties of ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate?
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate has a molecular weight of 199.21 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 102317194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).