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

C11H16N2O5 — CID 2681448

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N2O5/c1-7-10(8(2)18-13-7)11(15)17-6-9(14)12-4-5-16-3/h4-6H2,1-3H3,(H,12,14)
InChIKeyVCBOBRCCDSCGKM-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.21
Rot. Bonds6

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

[2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2681448) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2681448
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCOCCNC(=O)COC(=O)c1c(C)noc1C
InChIInChI=1S/C11H16N2O5/c1-7-10(8(2)18-13-7)11(15)17-6-9(14)12-4-5-16-3/h4-6H2,1-3H3,(H,12,14)
InChIKeyVCBOBRCCDSCGKM-UHFFFAOYSA-N
XLogP0.21
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2681448) is [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is COCCNC(=O)COC(=O)c1c(C)noc1C.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is VCBOBRCCDSCGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-7-10(8(2)18-13-7)11(15)17-6-9(14)12-4-5-16-3/h4-6H2,1-3H3,(H,12,14).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2681448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).