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

C10H15N5O — CID 106399900

IUPAC2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCn1ccnc1CCNCCc1ncno1
InChIInChI=1S/C10H15N5O/c1-15-7-6-12-9(15)2-4-11-5-3-10-13-8-14-16-10/h6-8,11H,2-5H2,1H3
InChIKeyAMZRVLGUNHMXDQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.18
Rot. Bonds6

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

2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (PubChem CID 106399900) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
PubChem CID106399900
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine
SMILESCn1ccnc1CCNCCc1ncno1
InChIInChI=1S/C10H15N5O/c1-15-7-6-12-9(15)2-4-11-5-3-10-13-8-14-16-10/h6-8,11H,2-5H2,1H3
InChIKeyAMZRVLGUNHMXDQ-UHFFFAOYSA-N
XLogP0.18
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 ≤ 50.18
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 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine (CID 106399900) is 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is Cn1ccnc1CCNCCc1ncno1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
The InChIKey is AMZRVLGUNHMXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-15-7-6-12-9(15)2-4-11-5-3-10-13-8-14-16-10/h6-8,11H,2-5H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine?
2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine has a molecular weight of 221.26 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 106399900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).