2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine

C11H17N5O — CID 106394458

IUPAC2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNCCc1ncno1
InChIInChI=1S/C11H17N5O/c1-2-6-16-7-5-13-10(16)8-12-4-3-11-14-9-15-17-11/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyDVIWTMYUYIESNY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.01
Rot. Bonds7

About 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine

2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 106394458) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID106394458
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CNCCc1ncno1
InChIInChI=1S/C11H17N5O/c1-2-6-16-7-5-13-10(16)8-12-4-3-11-14-9-15-17-11/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyDVIWTMYUYIESNY-UHFFFAOYSA-N
XLogP1.01
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.01
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-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 106394458) is 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CNCCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is DVIWTMYUYIESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-6-16-7-5-13-10(16)8-12-4-3-11-14-9-15-17-11/h5,7,9,12H,2-4,6,8H2,1H3.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine has a molecular weight of 235.29 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 106394458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).