1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine

C6H11N3O — CID 25220847

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
SMILESCCc1noc(CNC)n1
InChIInChI=1S/C6H11N3O/c1-3-5-8-6(4-7-2)10-9-5/h7H,3-4H2,1-2H3
InChIKeyWBHVOQXHRCGQTP-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.35
Rot. Bonds3

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine (PubChem CID 25220847) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
PubChem CID25220847
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
SMILESCCc1noc(CNC)n1
InChIInChI=1S/C6H11N3O/c1-3-5-8-6(4-7-2)10-9-5/h7H,3-4H2,1-2H3
InChIKeyWBHVOQXHRCGQTP-UHFFFAOYSA-N
XLogP0.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine (CID 25220847) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine is CCc1noc(CNC)n1.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine?
The InChIKey is WBHVOQXHRCGQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-5-8-6(4-7-2)10-9-5/h7H,3-4H2,1-2H3.
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine has a molecular weight of 141.17 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine is sourced from PubChem (CID 25220847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).