2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

C12H17N3O3 — CID 75504570

IUPAC2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCOCC(NCc1noc(C)n1)c1ccc(C)o1
InChIInChI=1S/C12H17N3O3/c1-8-4-5-11(17-8)10(7-16-3)13-6-12-14-9(2)18-15-12/h4-5,10,13H,6-7H2,1-3H3
InChIKeyVTHPSXBUJRLWCH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.76
Rot. Bonds6

About 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine

2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (PubChem CID 75504570) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
PubChem CID75504570
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
SMILESCOCC(NCc1noc(C)n1)c1ccc(C)o1
InChIInChI=1S/C12H17N3O3/c1-8-4-5-11(17-8)10(7-16-3)13-6-12-14-9(2)18-15-12/h4-5,10,13H,6-7H2,1-3H3
InChIKeyVTHPSXBUJRLWCH-UHFFFAOYSA-N
XLogP1.76
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine (CID 75504570) is 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is COCC(NCc1noc(C)n1)c1ccc(C)o1.
What is the InChIKey of 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
The InChIKey is VTHPSXBUJRLWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-4-5-11(17-8)10(7-16-3)13-6-12-14-9(2)18-15-12/h4-5,10,13H,6-7H2,1-3H3.
What are the key properties of 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine?
2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine has a molecular weight of 251.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(5-methylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 75504570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).