[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C12H18N2O4 — CID 2681449

IUPAC[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C12H18N2O4/c1-7-10(8(2)18-14-7)11(16)17-6-9(15)13-12(3,4)5/h6H2,1-5H3,(H,13,15)
InChIKeyAIICKNMQWCUFDN-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.36
Rot. Bonds3

About [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2681449) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2681449
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C12H18N2O4/c1-7-10(8(2)18-14-7)11(16)17-6-9(15)13-12(3,4)5/h6H2,1-5H3,(H,13,15)
InChIKeyAIICKNMQWCUFDN-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2681449) is [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is AIICKNMQWCUFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-7-10(8(2)18-14-7)11(16)17-6-9(15)13-12(3,4)5/h6H2,1-5H3,(H,13,15).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2681449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).