ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate

C14H22N2O4 — CID 61008042

IUPACethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1c(CC)noc1C
InChIInChI=1S/C14H22N2O4/c1-5-8-16(9-12(17)19-7-3)14(18)13-10(4)20-15-11(13)6-2/h5-9H2,1-4H3
InChIKeyLMFCZKZUUNYZQX-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.96
Rot. Bonds7

About ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate

ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate (PubChem CID 61008042) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate
PubChem CID61008042
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nameethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate
SMILESCCCN(CC(=O)OCC)C(=O)c1c(CC)noc1C
InChIInChI=1S/C14H22N2O4/c1-5-8-16(9-12(17)19-7-3)14(18)13-10(4)20-15-11(13)6-2/h5-9H2,1-4H3
InChIKeyLMFCZKZUUNYZQX-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[cyclopropyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]acetate
CID 61410019
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 115771797
ethyl 2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-propylamino]acetate
CID 61008485
methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
CID 54997668
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990361
ethyl 2-[(5-ethylthiophene-2-carbonyl)-propylamino]acetate
CID 54898816
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703
3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763
ethyl 2-[(2-bromofuran-3-carbonyl)-propylamino]acetate
CID 106853797
ethyl 2-[(5-methyl-1H-pyrazole-3-carbonyl)-propylamino]acetate
CID 62615904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate?
The IUPAC name of ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate (CID 61008042) is ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate?
The canonical SMILES for ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate is CCCN(CC(=O)OCC)C(=O)c1c(CC)noc1C.
What is the InChIKey of ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate?
The InChIKey is LMFCZKZUUNYZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-8-16(9-12(17)19-7-3)14(18)13-10(4)20-15-11(13)6-2/h5-9H2,1-4H3.
What are the key properties of ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate?
ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate has a molecular weight of 282.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate is sourced from PubChem (CID 61008042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).