N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C10H15N5O — CID 106400020

IUPACN-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1nccn1CCNCCc1ncno1
InChIInChI=1S/C10H15N5O/c1-9-12-5-7-15(9)6-4-11-3-2-10-13-8-14-16-10/h5,7-8,11H,2-4,6H2,1H3
InChIKeyAGFHMELOTDXNJP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.41
Rot. Bonds6

About N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106400020) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106400020
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1nccn1CCNCCc1ncno1
InChIInChI=1S/C10H15N5O/c1-9-12-5-7-15(9)6-4-11-3-2-10-13-8-14-16-10/h5,7-8,11H,2-4,6H2,1H3
InChIKeyAGFHMELOTDXNJP-UHFFFAOYSA-N
XLogP0.41
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 106400020) is N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is Cc1nccn1CCNCCc1ncno1.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is AGFHMELOTDXNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-9-12-5-7-15(9)6-4-11-3-2-10-13-8-14-16-10/h5,7-8,11H,2-4,6H2,1H3.
What are the key properties of N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 221.26 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106400020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).