ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate

C12H15N3O4 — CID 62013155

IUPACethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1noc(-c2ccco2)n1
InChIInChI=1S/C12H15N3O4/c1-3-17-11(16)8-15(2)7-10-13-12(19-14-10)9-5-4-6-18-9/h4-6H,3,7-8H2,1-2H3
InChIKeyZXMXPADFQXWKCN-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.32
Rot. Bonds6

About ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate

ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate (PubChem CID 62013155) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate
PubChem CID62013155
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1noc(-c2ccco2)n1
InChIInChI=1S/C12H15N3O4/c1-3-17-11(16)8-15(2)7-10-13-12(19-14-10)9-5-4-6-18-9/h4-6H,3,7-8H2,1-2H3
InChIKeyZXMXPADFQXWKCN-UHFFFAOYSA-N
XLogP1.32
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate (CID 62013155) is ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1noc(-c2ccco2)n1.
What is the InChIKey of ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
The InChIKey is ZXMXPADFQXWKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c1-3-17-11(16)8-15(2)7-10-13-12(19-14-10)9-5-4-6-18-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate has a molecular weight of 265.27 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate is sourced from PubChem (CID 62013155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).