1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

C8H15N3O2 — CID 54595741

IUPAC1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCCOC(C)c1noc(CNC)n1
InChIInChI=1S/C8H15N3O2/c1-4-12-6(2)8-10-7(5-9-3)13-11-8/h6,9H,4-5H2,1-3H3
InChIKeyXWAQCKUMXUNYHW-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.89
Rot. Bonds5

About 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine

1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (PubChem CID 54595741) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
PubChem CID54595741
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
SMILESCCOC(C)c1noc(CNC)n1
InChIInChI=1S/C8H15N3O2/c1-4-12-6(2)8-10-7(5-9-3)13-11-8/h6,9H,4-5H2,1-3H3
InChIKeyXWAQCKUMXUNYHW-UHFFFAOYSA-N
XLogP0.89
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine (CID 54595741) is 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is CCOC(C)c1noc(CNC)n1.
What is the InChIKey of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
The InChIKey is XWAQCKUMXUNYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-4-12-6(2)8-10-7(5-9-3)13-11-8/h6,9H,4-5H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine?
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine has a molecular weight of 185.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 54595741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).