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

C10H14N2O4 — CID 53323844

IUPAC[2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccno1
InChIInChI=1S/C10H14N2O4/c1-10(2,3)12-8(13)6-15-9(14)7-4-5-11-16-7/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyZWUQDIREZAJIJA-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.75
Rot. Bonds3

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

[2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate (PubChem CID 53323844) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate
PubChem CID53323844
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate
SMILESCC(C)(C)NC(=O)COC(=O)c1ccno1
InChIInChI=1S/C10H14N2O4/c1-10(2,3)12-8(13)6-15-9(14)7-4-5-11-16-7/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyZWUQDIREZAJIJA-UHFFFAOYSA-N
XLogP0.75
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.75
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] 1,2-oxazole-5-carboxylate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate (CID 53323844) is [2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate is CC(C)(C)NC(=O)COC(=O)c1ccno1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate?
The InChIKey is ZWUQDIREZAJIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(2,3)12-8(13)6-15-9(14)7-4-5-11-16-7/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate?
[2-(tert-butylamino)-2-oxoethyl] 1,2-oxazole-5-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.75, 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] 1,2-oxazole-5-carboxylate is sourced from PubChem (CID 53323844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).