ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate

C10H16N2O4 — CID 44516087

IUPACethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(CNCCOC)n1
InChIInChI=1S/C10H16N2O4/c1-3-15-10(13)8-7-16-9(12-8)6-11-4-5-14-2/h7,11H,3-6H2,1-2H3
InChIKeyNCNBCTMNYZUFJA-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.59
Rot. Bonds7

About ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate

ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate (PubChem CID 44516087) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
PubChem CID44516087
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Nameethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(CNCCOC)n1
InChIInChI=1S/C10H16N2O4/c1-3-15-10(13)8-7-16-9(12-8)6-11-4-5-14-2/h7,11H,3-6H2,1-2H3
InChIKeyNCNBCTMNYZUFJA-UHFFFAOYSA-N
XLogP0.59
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.59
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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Related Compounds

ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
2-(2-aminoethyl)-N-(2-methoxyethyl)-1,3-oxazole-4-carboxamide
CID 3858413
ethyl 5-[(2-methoxyethylamino)methyl]furan-2-carboxylate
CID 115904417
methyl 2-(sulfanylmethyl)-1,3-oxazole-4-carboxylate
CID 165481835
ethyl 2-[(E)-but-2-en-2-yl]-1,3-oxazole-4-carboxylate
CID 25215536
methyl 2-[(tert-butylamino)methyl]-1,3-oxazole-4-carboxylate
CID 42656277
ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate
CID 3839253
ethyl 2-[2-methoxyethyl(2-methylpropyl)amino]-1,3-oxazole-4-carboxylate
CID 113377205
N-(3-methylbutyl)-2-[(3-methylbutylamino)methyl]-1,3-oxazole-4-carboxamide
CID 42766132
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethyl 2-(2-butoxyethylamino)-1,3-oxazole-4-carboxylate
CID 113377237
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1,3-oxazole-4-carboxylate
CID 114008821

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate (CID 44516087) is ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(CNCCOC)n1.
What is the InChIKey of ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate?
The InChIKey is NCNBCTMNYZUFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-3-15-10(13)8-7-16-9(12-8)6-11-4-5-14-2/h7,11H,3-6H2,1-2H3.
What are the key properties of ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate?
ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methoxyethylamino)methyl]-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 44516087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).