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

C11H13N3O4 — CID 55028758

IUPACmethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1noc(-c2ccco2)n1
InChIInChI=1S/C11H13N3O4/c1-14(7-10(15)16-2)6-9-12-11(18-13-9)8-4-3-5-17-8/h3-5H,6-7H2,1-2H3
InChIKeyKJKHPABENDIWEZ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.93
Rot. Bonds5

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

methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate (PubChem CID 55028758) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate
PubChem CID55028758
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Namemethyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate
SMILESCOC(=O)CN(C)Cc1noc(-c2ccco2)n1
InChIInChI=1S/C11H13N3O4/c1-14(7-10(15)16-2)6-9-12-11(18-13-9)8-4-3-5-17-8/h3-5H,6-7H2,1-2H3
InChIKeyKJKHPABENDIWEZ-UHFFFAOYSA-N
XLogP0.93
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
The IUPAC name of methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate (CID 55028758) is methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
The canonical SMILES for methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate is COC(=O)CN(C)Cc1noc(-c2ccco2)n1.
What is the InChIKey of methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
The InChIKey is KJKHPABENDIWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-14(7-10(15)16-2)6-9-12-11(18-13-9)8-4-3-5-17-8/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate?
methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate has a molecular weight of 251.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetate is sourced from PubChem (CID 55028758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).