ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate

C11H18N2O3 — CID 55207786

IUPACethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)Cc1cnoc1
InChIInChI=1S/C11H18N2O3/c1-3-5-13(8-11(14)15-4-2)7-10-6-12-16-9-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyZLRUPNZUYIPWGE-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.45
Rot. Bonds7

About ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate

ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate (PubChem CID 55207786) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate
PubChem CID55207786
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate
SMILESCCCN(CC(=O)OCC)Cc1cnoc1
InChIInChI=1S/C11H18N2O3/c1-3-5-13(8-11(14)15-4-2)7-10-6-12-16-9-10/h6,9H,3-5,7-8H2,1-2H3
InChIKeyZLRUPNZUYIPWGE-UHFFFAOYSA-N
XLogP1.45
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[furan-3-ylmethyl(propyl)amino]acetate
CID 83057034
2-[carboxymethyl(1,2-oxazol-4-ylmethyl)amino]acetic acid
CID 63644452
diethyl 2-(1,2-oxazol-4-ylmethyl)propanedioate
CID 79460234
ethyl 2-[(4-bromothiophen-2-yl)methyl-propylamino]acetate
CID 62026565
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[(4-chloro-2-fluorophenyl)methyl-propylamino]acetate
CID 114857982
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 2-[(1-pentan-3-ylpyrazol-3-yl)methyl-propylamino]acetate
CID 64780042
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate
CID 47425316
2-[1,2-oxazol-4-ylmethyl(prop-2-enyl)amino]acetic acid
CID 79276600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate?
The IUPAC name of ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate (CID 55207786) is ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate is CCCN(CC(=O)OCC)Cc1cnoc1.
What is the InChIKey of ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate?
The InChIKey is ZLRUPNZUYIPWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-5-13(8-11(14)15-4-2)7-10-6-12-16-9-10/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate?
ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate has a molecular weight of 226.28 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,2-oxazol-4-ylmethyl(propyl)amino]acetate is sourced from PubChem (CID 55207786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).