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

C12H18N2O4 — CID 15682571

IUPACethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C(=O)NC(C)(C)C)noc1C
InChIInChI=1S/C12H18N2O4/c1-6-17-11(16)8-7(2)18-14-9(8)10(15)13-12(3,4)5/h6H2,1-5H3,(H,13,15)
InChIKeyITMCBERITHJKHO-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.69
Rot. Bonds3

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

ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 15682571) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID15682571
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)c1c(C(=O)NC(C)(C)C)noc1C
InChIInChI=1S/C12H18N2O4/c1-6-17-11(16)8-7(2)18-14-9(8)10(15)13-12(3,4)5/h6H2,1-5H3,(H,13,15)
InChIKeyITMCBERITHJKHO-UHFFFAOYSA-N
XLogP1.69
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate (CID 15682571) is ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)c1c(C(=O)NC(C)(C)C)noc1C.
What is the InChIKey of ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is ITMCBERITHJKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-6-17-11(16)8-7(2)18-14-9(8)10(15)13-12(3,4)5/h6H2,1-5H3,(H,13,15).
What are the key properties of ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate?
ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(tert-butylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 15682571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).