ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate

C13H22N2O4 — CID 113377205

IUPACethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(CCOC)CC(C)C)n1
InChIInChI=1S/C13H22N2O4/c1-5-18-12(16)11-9-19-13(14-11)15(6-7-17-4)8-10(2)3/h9-10H,5-8H2,1-4H3
InChIKeyIVDNJYSIBGPUSS-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.96
Rot. Bonds8

About ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate

ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate (PubChem CID 113377205) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
PubChem CID113377205
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nameethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(N(CCOC)CC(C)C)n1
InChIInChI=1S/C13H22N2O4/c1-5-18-12(16)11-9-19-13(14-11)15(6-7-17-4)8-10(2)3/h9-10H,5-8H2,1-4H3
InChIKeyIVDNJYSIBGPUSS-UHFFFAOYSA-N
XLogP1.96
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[ethyl(2-ethylbutyl)amino]-1,3-oxazole-4-carboxylate
CID 113377169
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
ethyl 2-[bis(thiophen-2-ylmethyl)amino]-1,3-oxazole-4-carboxylate
CID 167466268
ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
CID 44516087
methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
CID 114405986
ethyl 2-[methyl-(4-oxocyclohexyl)amino]-1,3-oxazole-4-carboxylate
CID 113377055
methyl 6-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 66449281
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-[[2-methoxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylate
CID 67269937
ethyl 2-[methyl(pyrrolidin-3-yl)amino]-1,3-oxazole-4-carboxylate
CID 113377425
ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate
CID 168985682
ethyl 2-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]-1,3-oxazole-4-carboxylate
CID 113377294

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate (CID 113377205) is ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(N(CCOC)CC(C)C)n1.
What is the InChIKey of ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate?
The InChIKey is IVDNJYSIBGPUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-5-18-12(16)11-9-19-13(14-11)15(6-7-17-4)8-10(2)3/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate?
ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate has a molecular weight of 270.33 g/mol, XLogP of 1.96, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113377205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).