ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate

C13H20N2O3 — CID 103255501

IUPACethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNC(C)c1c(C)noc1C)C(=O)OCC
InChIInChI=1S/C13H20N2O3/c1-6-17-13(16)8(2)7-14-9(3)12-10(4)15-18-11(12)5/h9,14H,2,6-7H2,1,3-5H3
InChIKeyXUSCIYIZTMWQBH-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.06
Rot. Bonds6

About ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate

ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate (PubChem CID 103255501) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate
PubChem CID103255501
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Nameethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNC(C)c1c(C)noc1C)C(=O)OCC
InChIInChI=1S/C13H20N2O3/c1-6-17-13(16)8(2)7-14-9(3)12-10(4)15-18-11(12)5/h9,14H,2,6-7H2,1,3-5H3
InChIKeyXUSCIYIZTMWQBH-UHFFFAOYSA-N
XLogP2.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate (CID 103255501) is ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate is C=C(CNC(C)c1c(C)noc1C)C(=O)OCC.
What is the InChIKey of ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate?
The InChIKey is XUSCIYIZTMWQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-6-17-13(16)8(2)7-14-9(3)12-10(4)15-18-11(12)5/h9,14H,2,6-7H2,1,3-5H3.
What are the key properties of ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate?
ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate has a molecular weight of 252.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]prop-2-enoate is sourced from PubChem (CID 103255501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).