ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate

C14H22N2O4 — CID 61008485

IUPACethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C14H22N2O4/c1-5-7-16(9-14(18)19-6-2)13(17)8-12-10(3)15-20-11(12)4/h5-9H2,1-4H3
InChIKeyHNACCLLQVSHEGA-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.64
Rot. Bonds7

About ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate

ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate (PubChem CID 61008485) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
PubChem CID61008485
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)Cc1c(C)noc1C
InChIInChI=1S/C14H22N2O4/c1-5-7-16(9-14(18)19-6-2)13(17)8-12-10(3)15-20-11(12)4/h5-9H2,1-4H3
InChIKeyHNACCLLQVSHEGA-UHFFFAOYSA-N
XLogP1.64
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate
CID 61008042
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-bis(3-methylbutyl)acetamide
CID 78847325
methyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]acetate
CID 43407679
methyl 3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]propanoate
CID 54979990
ethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]acetate
CID 60812133
N-(cyclopropylmethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-propylpropanamide
CID 86977378
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]-N-methylacetamide
CID 114243431
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 75414997
N-cyclohexyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylacetamide
CID 52551442
3-amino-1-(3,5-dimethyl-1,2-oxazol-4-yl)butan-2-one
CID 82407822
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 73167956
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate (CID 61008485) is ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)Cc1c(C)noc1C.
What is the InChIKey of ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate?
The InChIKey is HNACCLLQVSHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-7-16(9-14(18)19-6-2)13(17)8-12-10(3)15-20-11(12)4/h5-9H2,1-4H3.
What are the key properties of ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate?
ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate has a molecular weight of 282.34 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate is sourced from PubChem (CID 61008485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).