ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate

C12H20N2O3 — CID 104579654

IUPACethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate
SMILESCCOC(=O)C(CC)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H20N2O3/c1-5-10(12(15)16-6-2)14-9(4)11-13-7-8(3)17-11/h7,9-10,14H,5-6H2,1-4H3
InChIKeyJJXCFSJURVBCDN-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.98
Rot. Bonds6

About ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate

ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate (PubChem CID 104579654) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate
PubChem CID104579654
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate
SMILESCCOC(=O)C(CC)NC(C)c1ncc(C)o1
InChIInChI=1S/C12H20N2O3/c1-5-10(12(15)16-6-2)14-9(4)11-13-7-8(3)17-11/h7,9-10,14H,5-6H2,1-4H3
InChIKeyJJXCFSJURVBCDN-UHFFFAOYSA-N
XLogP1.98
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
The IUPAC name of ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate (CID 104579654) is ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate.
What is the SMILES notation for ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
The canonical SMILES for ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate is CCOC(=O)C(CC)NC(C)c1ncc(C)o1.
What is the InChIKey of ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
The InChIKey is JJXCFSJURVBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-10(12(15)16-6-2)14-9(4)11-13-7-8(3)17-11/h7,9-10,14H,5-6H2,1-4H3.
What are the key properties of ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate?
ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate has a molecular weight of 240.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]butanoate is sourced from PubChem (CID 104579654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).