ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate

C12H19N3O4 — CID 3839253

IUPACethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1coc(CNC)n1
InChIInChI=1S/C12H19N3O4/c1-4-18-11(16)5-8(2)14-12(17)9-7-19-10(15-9)6-13-3/h7-8,13H,4-6H2,1-3H3,(H,14,17)
InChIKeyHMACWVZMHXYRIJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.47
Rot. Bonds7

About ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate

ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate (PubChem CID 3839253) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate
PubChem CID3839253
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Nameethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate
SMILESCCOC(=O)CC(C)NC(=O)c1coc(CNC)n1
InChIInChI=1S/C12H19N3O4/c1-4-18-11(16)5-8(2)14-12(17)9-7-19-10(15-9)6-13-3/h7-8,13H,4-6H2,1-3H3,(H,14,17)
InChIKeyHMACWVZMHXYRIJ-UHFFFAOYSA-N
XLogP0.47
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate?
The IUPAC name of ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate (CID 3839253) is ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate.
What is the SMILES notation for ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate?
The canonical SMILES for ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate is CCOC(=O)CC(C)NC(=O)c1coc(CNC)n1.
What is the InChIKey of ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate?
The InChIKey is HMACWVZMHXYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-4-18-11(16)5-8(2)14-12(17)9-7-19-10(15-9)6-13-3/h7-8,13H,4-6H2,1-3H3,(H,14,17).
What are the key properties of ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate?
ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate has a molecular weight of 269.30 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]butanoate is sourced from PubChem (CID 3839253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).