3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

C10H15N5O — CID 106399606

IUPAC3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESc1cn(CCCNCCc2ncno2)cn1
InChIInChI=1S/C10H15N5O/c1(6-15-7-5-12-9-15)3-11-4-2-10-13-8-14-16-10/h5,7-9,11H,1-4,6H2
InChIKeyIJLIYTAXEJVXAM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.49
Rot. Bonds7

About 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine

3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (PubChem CID 106399606) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
PubChem CID106399606
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
SMILESc1cn(CCCNCCc2ncno2)cn1
InChIInChI=1S/C10H15N5O/c1(6-15-7-5-12-9-15)3-11-4-2-10-13-8-14-16-10/h5,7-9,11H,1-4,6H2
InChIKeyIJLIYTAXEJVXAM-UHFFFAOYSA-N
XLogP0.49
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.49
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 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine (CID 106399606) is 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is c1cn(CCCNCCc2ncno2)cn1.
What is the InChIKey of 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
The InChIKey is IJLIYTAXEJVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1(6-15-7-5-12-9-15)3-11-4-2-10-13-8-14-16-10/h5,7-9,11H,1-4,6H2.
What are the key properties of 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine?
3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine has a molecular weight of 221.26 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 106399606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).