N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine

C7H13N3O — CID 154507388

IUPACN-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine
SMILESCCN(CC)Cc1ncno1
InChIInChI=1S/C7H13N3O/c1-3-10(4-2)5-7-8-6-9-11-7/h6H,3-5H2,1-2H3
InChIKeyIBSWSKDLPQOUMV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.91
Rot. Bonds4

About N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine

N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine (PubChem CID 154507388) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine
PubChem CID154507388
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine
SMILESCCN(CC)Cc1ncno1
InChIInChI=1S/C7H13N3O/c1-3-10(4-2)5-7-8-6-9-11-7/h6H,3-5H2,1-2H3
InChIKeyIBSWSKDLPQOUMV-UHFFFAOYSA-N
XLogP0.91
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine (CID 154507388) is N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine is CCN(CC)Cc1ncno1.
What is the InChIKey of N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine?
The InChIKey is IBSWSKDLPQOUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-10(4-2)5-7-8-6-9-11-7/h6H,3-5H2,1-2H3.
What are the key properties of N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine?
N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine has a molecular weight of 155.20 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,2,4-oxadiazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 154507388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).