ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate

C7H11NO3 — CID 19917177

IUPACethyl 5-methyl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)C=CNO1
InChIInChI=1S/C7H11NO3/c1-3-10-6(9)7(2)4-5-8-11-7/h4-5,8H,3H2,1-2H3
InChIKeyIBIZNJVEVBPCRM-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.36
Rot. Bonds2

About ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate

ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate (PubChem CID 19917177) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2H-1,2-oxazole-5-carboxylate
PubChem CID19917177
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Nameethyl 5-methyl-2H-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)C1(C)C=CNO1
InChIInChI=1S/C7H11NO3/c1-3-10-6(9)7(2)4-5-8-11-7/h4-5,8H,3H2,1-2H3
InChIKeyIBIZNJVEVBPCRM-UHFFFAOYSA-N
XLogP0.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate (CID 19917177) is ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate is CCOC(=O)C1(C)C=CNO1.
What is the InChIKey of ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate?
The InChIKey is IBIZNJVEVBPCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-3-10-6(9)7(2)4-5-8-11-7/h4-5,8H,3H2,1-2H3.
What are the key properties of ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate?
ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate has a molecular weight of 157.17 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2H-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 19917177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).