[2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C12H16N2O6 — CID 7531350

IUPAC[2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1c(CC)noc1C
InChIInChI=1S/C12H16N2O6/c1-4-8-10(7(3)20-14-8)11(16)19-6-9(15)13-12(17)18-5-2/h4-6H2,1-3H3,(H,13,15,17)
InChIKeyRXIPIHDTYQPWBK-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.97
Rot. Bonds5

About [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7531350) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7531350
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name[2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCOC(=O)NC(=O)COC(=O)c1c(CC)noc1C
InChIInChI=1S/C12H16N2O6/c1-4-8-10(7(3)20-14-8)11(16)19-6-9(15)13-12(17)18-5-2/h4-6H2,1-3H3,(H,13,15,17)
InChIKeyRXIPIHDTYQPWBK-UHFFFAOYSA-N
XLogP0.97
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3946039
[2-(Cyclopropylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2520589
[1-(Methylcarbamoylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 3927260
Ethyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 3745090
[2-(1-Adamantylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790435
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2681430
[2-Oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 27951174
[1-(Cyclopentylamino)-1-oxopropan-2-yl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 4692442
[2-(3-Methylbutylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790439
[2-(Cyclopentylcarbamoylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660681
(5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 16306256
[2-(2-Methylbutan-2-ylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 40770484

Frequently Asked Questions

What is the IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7531350) is [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCOC(=O)NC(=O)COC(=O)c1c(CC)noc1C.
What is the InChIKey of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is RXIPIHDTYQPWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-4-8-10(7(3)20-14-8)11(16)19-6-9(15)13-12(17)18-5-2/h4-6H2,1-3H3,(H,13,15,17).
What are the key properties of [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 284.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethoxycarbonylamino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7531350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).